SimRNA (c) 2009-2024 Genesilico, ver. 3.33 Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new-ac324842/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 218 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -2298.512488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.512488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.512488 (E_RNA) where: Base-Base interactions energy: -1584.815 where: short stacking energy: -706.292 Base-Backbone interact. energy: -1.706 local terms energy: -711.991415 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -134.212 flat angles C4'-P-C4' energy: -150.648 flat angles P-C4'-P energy: -96.492 tors. eta vs tors. theta energy: -205.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -2194.541822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.541822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.541822 (E_RNA) where: Base-Base interactions energy: -1510.903 where: short stacking energy: -658.510 Base-Backbone interact. energy: -2.075 local terms energy: -681.564283 where: bonds (distance) C4'-P energy: -131.081 bonds (distance) P-C4' energy: -129.583 flat angles C4'-P-C4' energy: -143.318 flat angles P-C4'-P energy: -90.987 tors. eta vs tors. theta energy: -186.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -2173.813028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.813028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.813028 (E_RNA) where: Base-Base interactions energy: -1490.622 where: short stacking energy: -646.338 Base-Backbone interact. energy: -3.037 local terms energy: -680.153471 where: bonds (distance) C4'-P energy: -137.227 bonds (distance) P-C4' energy: -134.919 flat angles C4'-P-C4' energy: -150.045 flat angles P-C4'-P energy: -92.171 tors. eta vs tors. theta energy: -165.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -2069.397631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.397631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.397631 (E_RNA) where: Base-Base interactions energy: -1427.740 where: short stacking energy: -624.357 Base-Backbone interact. energy: -1.750 local terms energy: -639.907362 where: bonds (distance) C4'-P energy: -118.886 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -128.099 flat angles P-C4'-P energy: -101.462 tors. eta vs tors. theta energy: -172.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1972.834830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.834830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.834830 (E_RNA) where: Base-Base interactions energy: -1365.689 where: short stacking energy: -604.617 Base-Backbone interact. energy: -2.415 local terms energy: -604.730889 where: bonds (distance) C4'-P energy: -124.513 bonds (distance) P-C4' energy: -98.945 flat angles C4'-P-C4' energy: -137.935 flat angles P-C4'-P energy: -84.709 tors. eta vs tors. theta energy: -158.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1923.397248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.397248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.397248 (E_RNA) where: Base-Base interactions energy: -1313.670 where: short stacking energy: -579.989 Base-Backbone interact. energy: -0.856 local terms energy: -608.870873 where: bonds (distance) C4'-P energy: -119.932 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -130.586 flat angles P-C4'-P energy: -83.658 tors. eta vs tors. theta energy: -158.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1751.527649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.527649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.527649 (E_RNA) where: Base-Base interactions energy: -1194.414 where: short stacking energy: -530.203 Base-Backbone interact. energy: 0.782 local terms energy: -557.895794 where: bonds (distance) C4'-P energy: -94.822 bonds (distance) P-C4' energy: -115.210 flat angles C4'-P-C4' energy: -112.117 flat angles P-C4'-P energy: -91.312 tors. eta vs tors. theta energy: -144.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1742.172852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.172852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.172852 (E_RNA) where: Base-Base interactions energy: -1189.675 where: short stacking energy: -533.485 Base-Backbone interact. energy: -2.530 local terms energy: -549.967530 where: bonds (distance) C4'-P energy: -112.410 bonds (distance) P-C4' energy: -94.263 flat angles C4'-P-C4' energy: -120.595 flat angles P-C4'-P energy: -75.285 tors. eta vs tors. theta energy: -147.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1612.137987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.137987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.137987 (E_RNA) where: Base-Base interactions energy: -1068.952 where: short stacking energy: -496.468 Base-Backbone interact. energy: -3.404 local terms energy: -539.782724 where: bonds (distance) C4'-P energy: -107.328 bonds (distance) P-C4' energy: -95.049 flat angles C4'-P-C4' energy: -126.820 flat angles P-C4'-P energy: -51.915 tors. eta vs tors. theta energy: -158.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1602.843400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.843400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.843400 (E_RNA) where: Base-Base interactions energy: -1025.507 where: short stacking energy: -489.924 Base-Backbone interact. energy: 12.513 local terms energy: -589.849127 where: bonds (distance) C4'-P energy: -120.207 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -131.444 flat angles P-C4'-P energy: -64.112 tors. eta vs tors. theta energy: -153.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -2366.754872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.754872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.754872 (E_RNA) where: Base-Base interactions energy: -1612.324 where: short stacking energy: -730.935 Base-Backbone interact. energy: -3.917 local terms energy: -750.513934 where: bonds (distance) C4'-P energy: -133.290 bonds (distance) P-C4' energy: -135.233 flat angles C4'-P-C4' energy: -159.125 flat angles P-C4'-P energy: -107.297 tors. eta vs tors. theta energy: -215.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -2205.170059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.170059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.170059 (E_RNA) where: Base-Base interactions energy: -1513.418 where: short stacking energy: -666.162 Base-Backbone interact. energy: -3.051 local terms energy: -688.701320 where: bonds (distance) C4'-P energy: -120.527 bonds (distance) P-C4' energy: -128.432 flat angles C4'-P-C4' energy: -145.745 flat angles P-C4'-P energy: -101.400 tors. eta vs tors. theta energy: -192.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -2198.549928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.549928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.549928 (E_RNA) where: Base-Base interactions energy: -1524.677 where: short stacking energy: -671.308 Base-Backbone interact. energy: -3.797 local terms energy: -670.075168 where: bonds (distance) C4'-P energy: -118.994 bonds (distance) P-C4' energy: -122.825 flat angles C4'-P-C4' energy: -132.590 flat angles P-C4'-P energy: -95.067 tors. eta vs tors. theta energy: -200.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -2129.421963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.421963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.421963 (E_RNA) where: Base-Base interactions energy: -1487.440 where: short stacking energy: -639.490 Base-Backbone interact. energy: -2.053 local terms energy: -639.929128 where: bonds (distance) C4'-P energy: -109.118 bonds (distance) P-C4' energy: -112.537 flat angles C4'-P-C4' energy: -152.363 flat angles P-C4'-P energy: -88.665 tors. eta vs tors. theta energy: -177.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -2000.339891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.339891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.339891 (E_RNA) where: Base-Base interactions energy: -1346.223 where: short stacking energy: -593.783 Base-Backbone interact. energy: 0.866 local terms energy: -654.982950 where: bonds (distance) C4'-P energy: -122.436 bonds (distance) P-C4' energy: -117.143 flat angles C4'-P-C4' energy: -153.471 flat angles P-C4'-P energy: -81.625 tors. eta vs tors. theta energy: -180.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1970.832842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.832842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.832842 (E_RNA) where: Base-Base interactions energy: -1371.287 where: short stacking energy: -596.401 Base-Backbone interact. energy: -3.700 local terms energy: -595.845819 where: bonds (distance) C4'-P energy: -123.583 bonds (distance) P-C4' energy: -115.270 flat angles C4'-P-C4' energy: -126.674 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -154.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -1789.331466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.331466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.331466 (E_RNA) where: Base-Base interactions energy: -1221.220 where: short stacking energy: -510.205 Base-Backbone interact. energy: -0.643 local terms energy: -567.469162 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -122.087 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -136.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -1606.919735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.919735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.919735 (E_RNA) where: Base-Base interactions energy: -1082.970 where: short stacking energy: -454.892 Base-Backbone interact. energy: 1.136 local terms energy: -525.085903 where: bonds (distance) C4'-P energy: -105.387 bonds (distance) P-C4' energy: -122.881 flat angles C4'-P-C4' energy: -103.250 flat angles P-C4'-P energy: -83.675 tors. eta vs tors. theta energy: -109.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -1360.186561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.186561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.186561 (E_RNA) where: Base-Base interactions energy: -921.976 where: short stacking energy: -411.120 Base-Backbone interact. energy: -1.956 local terms energy: -436.255012 where: bonds (distance) C4'-P energy: -105.186 bonds (distance) P-C4' energy: -99.515 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -39.529 tors. eta vs tors. theta energy: -92.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -1324.096639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.096639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.096639 (E_RNA) where: Base-Base interactions energy: -854.803 where: short stacking energy: -372.740 Base-Backbone interact. energy: -2.145 local terms energy: -467.149311 where: bonds (distance) C4'-P energy: -106.850 bonds (distance) P-C4' energy: -127.821 flat angles C4'-P-C4' energy: -111.226 flat angles P-C4'-P energy: -52.499 tors. eta vs tors. theta energy: -68.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -2386.419980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.419980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.419980 (E_RNA) where: Base-Base interactions energy: -1638.863 where: short stacking energy: -716.834 Base-Backbone interact. energy: -2.279 local terms energy: -745.278507 where: bonds (distance) C4'-P energy: -128.050 bonds (distance) P-C4' energy: -126.345 flat angles C4'-P-C4' energy: -161.811 flat angles P-C4'-P energy: -107.894 tors. eta vs tors. theta energy: -221.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -2227.654052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.654052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.654052 (E_RNA) where: Base-Base interactions energy: -1535.678 where: short stacking energy: -698.421 Base-Backbone interact. energy: -0.700 local terms energy: -691.276011 where: bonds (distance) C4'-P energy: -126.727 bonds (distance) P-C4' energy: -125.866 flat angles C4'-P-C4' energy: -148.620 flat angles P-C4'-P energy: -95.616 tors. eta vs tors. theta energy: -194.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -2249.908451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.908451 (E_RNA) where: Base-Base interactions energy: -1568.360 where: short stacking energy: -681.892 Base-Backbone interact. energy: -0.559 local terms energy: -680.989374 where: bonds (distance) C4'-P energy: -129.115 bonds (distance) P-C4' energy: -123.399 flat angles C4'-P-C4' energy: -147.090 flat angles P-C4'-P energy: -82.214 tors. eta vs tors. theta energy: -199.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -2169.797274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.797274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.797274 (E_RNA) where: Base-Base interactions energy: -1501.790 where: short stacking energy: -614.175 Base-Backbone interact. energy: -1.369 local terms energy: -666.637695 where: bonds (distance) C4'-P energy: -119.918 bonds (distance) P-C4' energy: -137.684 flat angles C4'-P-C4' energy: -143.736 flat angles P-C4'-P energy: -91.207 tors. eta vs tors. theta energy: -174.092 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: 4 Temperature: 1.100000 Total energy: -2089.636075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.636075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.636075 (E_RNA) where: Base-Base interactions energy: -1495.594 where: short stacking energy: -647.814 Base-Backbone interact. energy: -2.866 local terms energy: -591.175663 where: bonds (distance) C4'-P energy: -105.252 bonds (distance) P-C4' energy: -97.012 flat angles C4'-P-C4' energy: -126.502 flat angles P-C4'-P energy: -78.031 tors. eta vs tors. theta energy: -184.379 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1931.153577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.153577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.153577 (E_RNA) where: Base-Base interactions energy: -1341.527 where: short stacking energy: -559.361 Base-Backbone interact. energy: -2.284 local terms energy: -587.343284 where: bonds (distance) C4'-P energy: -96.571 bonds (distance) P-C4' energy: -130.042 flat angles C4'-P-C4' energy: -110.390 flat angles P-C4'-P energy: -92.003 tors. eta vs tors. theta energy: -158.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -1716.327481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.327481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.327481 (E_RNA) where: Base-Base interactions energy: -1187.747 where: short stacking energy: -491.456 Base-Backbone interact. energy: -3.114 local terms energy: -525.465813 where: bonds (distance) C4'-P energy: -109.250 bonds (distance) P-C4' energy: -97.093 flat angles C4'-P-C4' energy: -117.052 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -126.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -1638.131115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.131115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.131115 (E_RNA) where: Base-Base interactions energy: -1132.120 where: short stacking energy: -505.860 Base-Backbone interact. energy: 1.396 local terms energy: -507.407306 where: bonds (distance) C4'-P energy: -74.956 bonds (distance) P-C4' energy: -101.373 flat angles C4'-P-C4' energy: -142.874 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -126.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -1366.743370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.743370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.743370 (E_RNA) where: Base-Base interactions energy: -884.131 where: short stacking energy: -401.642 Base-Backbone interact. energy: -2.407 local terms energy: -480.205920 where: bonds (distance) C4'-P energy: -112.877 bonds (distance) P-C4' energy: -82.590 flat angles C4'-P-C4' energy: -123.704 flat angles P-C4'-P energy: -73.071 tors. eta vs tors. theta energy: -87.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1248.961173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.961173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.961173 (E_RNA) where: Base-Base interactions energy: -797.912 where: short stacking energy: -364.729 Base-Backbone interact. energy: -1.529 local terms energy: -449.519937 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -120.097 flat angles C4'-P-C4' energy: -116.202 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -66.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -2437.797641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.797641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.797641 (E_RNA) where: Base-Base interactions energy: -1688.304 where: short stacking energy: -743.247 Base-Backbone interact. energy: 0.026 local terms energy: -749.519543 where: bonds (distance) C4'-P energy: -132.697 bonds (distance) P-C4' energy: -129.277 flat angles C4'-P-C4' energy: -155.633 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -232.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -2312.367392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.367392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.367392 (E_RNA) where: Base-Base interactions energy: -1608.602 where: short stacking energy: -679.966 Base-Backbone interact. energy: -2.395 local terms energy: -701.370099 where: bonds (distance) C4'-P energy: -132.254 bonds (distance) P-C4' energy: -125.749 flat angles C4'-P-C4' energy: -154.261 flat angles P-C4'-P energy: -97.088 tors. eta vs tors. theta energy: -192.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -2271.439501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.439501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.439501 (E_RNA) where: Base-Base interactions energy: -1583.558 where: short stacking energy: -684.932 Base-Backbone interact. energy: -3.143 local terms energy: -684.738355 where: bonds (distance) C4'-P energy: -136.590 bonds (distance) P-C4' energy: -125.727 flat angles C4'-P-C4' energy: -148.431 flat angles P-C4'-P energy: -83.597 tors. eta vs tors. theta energy: -190.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -2175.732601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.732601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.732601 (E_RNA) where: Base-Base interactions energy: -1494.796 where: short stacking energy: -628.513 Base-Backbone interact. energy: 0.044 local terms energy: -680.980540 where: bonds (distance) C4'-P energy: -126.307 bonds (distance) P-C4' energy: -136.105 flat angles C4'-P-C4' energy: -143.765 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -176.253 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -2071.945027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.945027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.945027 (E_RNA) where: Base-Base interactions energy: -1466.177 where: short stacking energy: -618.718 Base-Backbone interact. energy: -2.435 local terms energy: -603.333256 where: bonds (distance) C4'-P energy: -105.669 bonds (distance) P-C4' energy: -115.347 flat angles C4'-P-C4' energy: -121.603 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -172.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1895.655707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.655707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.655707 (E_RNA) where: Base-Base interactions energy: -1319.025 where: short stacking energy: -560.987 Base-Backbone interact. energy: -2.780 local terms energy: -573.850434 where: bonds (distance) C4'-P energy: -109.986 bonds (distance) P-C4' energy: -101.251 flat angles C4'-P-C4' energy: -128.382 flat angles P-C4'-P energy: -73.812 tors. eta vs tors. theta energy: -160.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1731.090273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.090273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.090273 (E_RNA) where: Base-Base interactions energy: -1174.175 where: short stacking energy: -509.483 Base-Backbone interact. energy: -2.101 local terms energy: -554.814029 where: bonds (distance) C4'-P energy: -119.228 bonds (distance) P-C4' energy: -114.683 flat angles C4'-P-C4' energy: -114.450 flat angles P-C4'-P energy: -82.374 tors. eta vs tors. theta energy: -124.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -1553.851594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.851594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.851594 (E_RNA) where: Base-Base interactions energy: -1045.409 where: short stacking energy: -467.774 Base-Backbone interact. energy: -0.057 local terms energy: -508.385290 where: bonds (distance) C4'-P energy: -93.444 bonds (distance) P-C4' energy: -114.497 flat angles C4'-P-C4' energy: -119.762 flat angles P-C4'-P energy: -61.218 tors. eta vs tors. theta energy: -119.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -1396.011153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.011153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.011153 (E_RNA) where: Base-Base interactions energy: -938.900 where: short stacking energy: -392.373 Base-Backbone interact. energy: -0.373 local terms energy: -456.737910 where: bonds (distance) C4'-P energy: -92.577 bonds (distance) P-C4' energy: -104.731 flat angles C4'-P-C4' energy: -109.675 flat angles P-C4'-P energy: -62.458 tors. eta vs tors. theta energy: -87.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -1201.429077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.429077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.429077 (E_RNA) where: Base-Base interactions energy: -776.450 where: short stacking energy: -364.260 Base-Backbone interact. energy: 1.162 local terms energy: -426.140563 where: bonds (distance) C4'-P energy: -72.910 bonds (distance) P-C4' energy: -86.292 flat angles C4'-P-C4' energy: -127.633 flat angles P-C4'-P energy: -72.142 tors. eta vs tors. theta energy: -67.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -2474.958964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.958964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.958964 (E_RNA) where: Base-Base interactions energy: -1739.235 where: short stacking energy: -764.221 Base-Backbone interact. energy: -4.342 local terms energy: -731.381654 where: bonds (distance) C4'-P energy: -119.457 bonds (distance) P-C4' energy: -119.764 flat angles C4'-P-C4' energy: -145.132 flat angles P-C4'-P energy: -118.404 tors. eta vs tors. theta energy: -228.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -2285.712763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.712763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.712763 (E_RNA) where: Base-Base interactions energy: -1589.888 where: short stacking energy: -701.861 Base-Backbone interact. energy: -4.230 local terms energy: -691.594061 where: bonds (distance) C4'-P energy: -122.655 bonds (distance) P-C4' energy: -119.488 flat angles C4'-P-C4' energy: -149.685 flat angles P-C4'-P energy: -89.007 tors. eta vs tors. theta energy: -210.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -2246.349249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.349249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.349249 (E_RNA) where: Base-Base interactions energy: -1565.522 where: short stacking energy: -645.266 Base-Backbone interact. energy: -3.384 local terms energy: -677.442498 where: bonds (distance) C4'-P energy: -144.489 bonds (distance) P-C4' energy: -103.050 flat angles C4'-P-C4' energy: -145.577 flat angles P-C4'-P energy: -94.085 tors. eta vs tors. theta energy: -190.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -2208.762297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.762297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.762297 (E_RNA) where: Base-Base interactions energy: -1556.597 where: short stacking energy: -674.811 Base-Backbone interact. energy: -4.035 local terms energy: -648.130360 where: bonds (distance) C4'-P energy: -113.153 bonds (distance) P-C4' energy: -135.939 flat angles C4'-P-C4' energy: -135.877 flat angles P-C4'-P energy: -76.799 tors. eta vs tors. theta energy: -186.362 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -2076.923921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.923921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.923921 (E_RNA) where: Base-Base interactions energy: -1465.496 where: short stacking energy: -611.150 Base-Backbone interact. energy: -2.648 local terms energy: -608.779775 where: bonds (distance) C4'-P energy: -108.350 bonds (distance) P-C4' energy: -121.589 flat angles C4'-P-C4' energy: -133.557 flat angles P-C4'-P energy: -81.967 tors. eta vs tors. theta energy: -163.316 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1918.027286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.027286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.027286 (E_RNA) where: Base-Base interactions energy: -1324.923 where: short stacking energy: -543.674 Base-Backbone interact. energy: -1.069 local terms energy: -592.035787 where: bonds (distance) C4'-P energy: -88.153 bonds (distance) P-C4' energy: -135.458 flat angles C4'-P-C4' energy: -136.010 flat angles P-C4'-P energy: -92.749 tors. eta vs tors. theta energy: -139.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1614.426494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.426494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.426494 (E_RNA) where: Base-Base interactions energy: -1083.722 where: short stacking energy: -483.224 Base-Backbone interact. energy: -2.241 local terms energy: -528.462909 where: bonds (distance) C4'-P energy: -88.535 bonds (distance) P-C4' energy: -118.917 flat angles C4'-P-C4' energy: -129.553 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -114.180 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: 6 Temperature: 1.250000 Total energy: -1598.380859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.380859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.380859 (E_RNA) where: Base-Base interactions energy: -1114.195 where: short stacking energy: -493.940 Base-Backbone interact. energy: -2.771 local terms energy: -481.414613 where: bonds (distance) C4'-P energy: -100.258 bonds (distance) P-C4' energy: -88.230 flat angles C4'-P-C4' energy: -122.904 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -105.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1395.736609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.736609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.736609 (E_RNA) where: Base-Base interactions energy: -903.066 where: short stacking energy: -406.773 Base-Backbone interact. energy: -1.489 local terms energy: -491.181182 where: bonds (distance) C4'-P energy: -91.537 bonds (distance) P-C4' energy: -108.813 flat angles C4'-P-C4' energy: -130.453 flat angles P-C4'-P energy: -69.655 tors. eta vs tors. theta energy: -90.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1178.879965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.879965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.879965 (E_RNA) where: Base-Base interactions energy: -741.885 where: short stacking energy: -352.512 Base-Backbone interact. energy: 0.822 local terms energy: -437.817642 where: bonds (distance) C4'-P energy: -93.876 bonds (distance) P-C4' energy: -115.455 flat angles C4'-P-C4' energy: -107.564 flat angles P-C4'-P energy: -47.311 tors. eta vs tors. theta energy: -73.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -2453.852144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.852144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.852144 (E_RNA) where: Base-Base interactions energy: -1709.179 where: short stacking energy: -766.119 Base-Backbone interact. energy: -2.919 local terms energy: -741.754203 where: bonds (distance) C4'-P energy: -134.804 bonds (distance) P-C4' energy: -130.399 flat angles C4'-P-C4' energy: -158.254 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -216.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -2333.157781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.157781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.157781 (E_RNA) where: Base-Base interactions energy: -1632.212 where: short stacking energy: -699.266 Base-Backbone interact. energy: -2.013 local terms energy: -698.933319 where: bonds (distance) C4'-P energy: -120.245 bonds (distance) P-C4' energy: -133.409 flat angles C4'-P-C4' energy: -153.318 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: -207.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -2236.682496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.682496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.682496 (E_RNA) where: Base-Base interactions energy: -1568.271 where: short stacking energy: -658.874 Base-Backbone interact. energy: -3.153 local terms energy: -665.258839 where: bonds (distance) C4'-P energy: -129.772 bonds (distance) P-C4' energy: -115.606 flat angles C4'-P-C4' energy: -139.035 flat angles P-C4'-P energy: -87.505 tors. eta vs tors. theta energy: -193.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -2166.552723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.552723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.552723 (E_RNA) where: Base-Base interactions energy: -1496.762 where: short stacking energy: -603.489 Base-Backbone interact. energy: -0.393 local terms energy: -669.398237 where: bonds (distance) C4'-P energy: -140.317 bonds (distance) P-C4' energy: -124.678 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -87.398 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -2063.671197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.671197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.671197 (E_RNA) where: Base-Base interactions energy: -1398.405 where: short stacking energy: -603.052 Base-Backbone interact. energy: -2.566 local terms energy: -662.699947 where: bonds (distance) C4'-P energy: -124.580 bonds (distance) P-C4' energy: -130.381 flat angles C4'-P-C4' energy: -142.746 flat angles P-C4'-P energy: -98.425 tors. eta vs tors. theta energy: -166.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1910.653002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.653002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.653002 (E_RNA) where: Base-Base interactions energy: -1333.807 where: short stacking energy: -538.602 Base-Backbone interact. energy: -2.424 local terms energy: -574.421395 where: bonds (distance) C4'-P energy: -92.270 bonds (distance) P-C4' energy: -114.134 flat angles C4'-P-C4' energy: -136.731 flat angles P-C4'-P energy: -78.110 tors. eta vs tors. theta energy: -153.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1664.290558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.290558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.290558 (E_RNA) where: Base-Base interactions energy: -1122.294 where: short stacking energy: -493.065 Base-Backbone interact. energy: -2.208 local terms energy: -539.788496 where: bonds (distance) C4'-P energy: -120.254 bonds (distance) P-C4' energy: -102.353 flat angles C4'-P-C4' energy: -123.955 flat angles P-C4'-P energy: -76.713 tors. eta vs tors. theta energy: -116.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1592.170861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.170861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.170861 (E_RNA) where: Base-Base interactions energy: -1055.981 where: short stacking energy: -475.580 Base-Backbone interact. energy: -3.722 local terms energy: -532.468226 where: bonds (distance) C4'-P energy: -115.848 bonds (distance) P-C4' energy: -92.214 flat angles C4'-P-C4' energy: -108.164 flat angles P-C4'-P energy: -98.972 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: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1402.394468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.394468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.394468 (E_RNA) where: Base-Base interactions energy: -918.542 where: short stacking energy: -431.111 Base-Backbone interact. energy: -2.386 local terms energy: -481.467226 where: bonds (distance) C4'-P energy: -87.986 bonds (distance) P-C4' energy: -108.014 flat angles C4'-P-C4' energy: -113.393 flat angles P-C4'-P energy: -68.791 tors. eta vs tors. theta energy: -103.284 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: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -1072.916889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.916889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.916889 (E_RNA) where: Base-Base interactions energy: -645.621 where: short stacking energy: -304.406 Base-Backbone interact. energy: -1.290 local terms energy: -426.005311 where: bonds (distance) C4'-P energy: -111.594 bonds (distance) P-C4' energy: -97.756 flat angles C4'-P-C4' energy: -101.992 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: -43.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -2436.879606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.879606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.879606 (E_RNA) where: Base-Base interactions energy: -1708.112 where: short stacking energy: -733.418 Base-Backbone interact. energy: -4.040 local terms energy: -724.727796 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -142.564 flat angles C4'-P-C4' energy: -153.753 flat angles P-C4'-P energy: -104.282 tors. eta vs tors. theta energy: -207.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -2339.582398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.582398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.582398 (E_RNA) where: Base-Base interactions energy: -1650.755 where: short stacking energy: -683.302 Base-Backbone interact. energy: 0.172 local terms energy: -688.999613 where: bonds (distance) C4'-P energy: -128.897 bonds (distance) P-C4' energy: -130.742 flat angles C4'-P-C4' energy: -142.701 flat angles P-C4'-P energy: -86.708 tors. eta vs tors. theta energy: -199.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -2225.592792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.592792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.592792 (E_RNA) where: Base-Base interactions energy: -1558.090 where: short stacking energy: -647.579 Base-Backbone interact. energy: 1.301 local terms energy: -668.803832 where: bonds (distance) C4'-P energy: -121.787 bonds (distance) P-C4' energy: -123.300 flat angles C4'-P-C4' energy: -139.878 flat angles P-C4'-P energy: -104.627 tors. eta vs tors. theta energy: -179.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -2236.924190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.924190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.924190 (E_RNA) where: Base-Base interactions energy: -1568.388 where: short stacking energy: -641.442 Base-Backbone interact. energy: -0.774 local terms energy: -667.762218 where: bonds (distance) C4'-P energy: -125.258 bonds (distance) P-C4' energy: -108.866 flat angles C4'-P-C4' energy: -130.778 flat angles P-C4'-P energy: -109.674 tors. eta vs tors. theta energy: -193.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -2093.085244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.085244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.085244 (E_RNA) where: Base-Base interactions energy: -1429.410 where: short stacking energy: -598.849 Base-Backbone interact. energy: -4.834 local terms energy: -658.841574 where: bonds (distance) C4'-P energy: -129.568 bonds (distance) P-C4' energy: -118.402 flat angles C4'-P-C4' energy: -141.958 flat angles P-C4'-P energy: -93.297 tors. eta vs tors. theta energy: -175.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1954.600255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.600255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.600255 (E_RNA) where: Base-Base interactions energy: -1378.531 where: short stacking energy: -564.940 Base-Backbone interact. energy: -1.897 local terms energy: -574.172098 where: bonds (distance) C4'-P energy: -100.396 bonds (distance) P-C4' energy: -114.537 flat angles C4'-P-C4' energy: -115.633 flat angles P-C4'-P energy: -86.262 tors. eta vs tors. theta energy: -157.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1623.010243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.010243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.010243 (E_RNA) where: Base-Base interactions energy: -1081.161 where: short stacking energy: -481.304 Base-Backbone interact. energy: -3.528 local terms energy: -538.321106 where: bonds (distance) C4'-P energy: -84.923 bonds (distance) P-C4' energy: -121.482 flat angles C4'-P-C4' energy: -122.540 flat angles P-C4'-P energy: -94.978 tors. eta vs tors. theta energy: -114.398 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: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1590.600805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.600805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.600805 (E_RNA) where: Base-Base interactions energy: -1084.710 where: short stacking energy: -457.196 Base-Backbone interact. energy: -1.068 local terms energy: -504.823414 where: bonds (distance) C4'-P energy: -111.727 bonds (distance) P-C4' energy: -101.209 flat angles C4'-P-C4' energy: -120.755 flat angles P-C4'-P energy: -65.181 tors. eta vs tors. theta energy: -105.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -1366.619048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.619048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.619048 (E_RNA) where: Base-Base interactions energy: -905.353 where: short stacking energy: -395.874 Base-Backbone interact. energy: 0.551 local terms energy: -461.816701 where: bonds (distance) C4'-P energy: -105.054 bonds (distance) P-C4' energy: -119.620 flat angles C4'-P-C4' energy: -91.017 flat angles P-C4'-P energy: -69.270 tors. eta vs tors. theta energy: -76.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1104.236905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.236905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.236905 (E_RNA) where: Base-Base interactions energy: -692.926 where: short stacking energy: -311.314 Base-Backbone interact. energy: 2.832 local terms energy: -414.142558 where: bonds (distance) C4'-P energy: -90.006 bonds (distance) P-C4' energy: -126.325 flat angles C4'-P-C4' energy: -83.623 flat angles P-C4'-P energy: -64.340 tors. eta vs tors. theta energy: -49.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -2444.094236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.094236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.094236 (E_RNA) where: Base-Base interactions energy: -1706.778 where: short stacking energy: -744.476 Base-Backbone interact. energy: -1.797 local terms energy: -735.519087 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -130.766 flat angles C4'-P-C4' energy: -159.272 flat angles P-C4'-P energy: -103.867 tors. eta vs tors. theta energy: -217.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -2341.524512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.524512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.524512 (E_RNA) where: Base-Base interactions energy: -1650.032 where: short stacking energy: -696.533 Base-Backbone interact. energy: 0.879 local terms energy: -692.371429 where: bonds (distance) C4'-P energy: -117.230 bonds (distance) P-C4' energy: -127.975 flat angles C4'-P-C4' energy: -146.433 flat angles P-C4'-P energy: -94.670 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: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -2249.919148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.919148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.919148 (E_RNA) where: Base-Base interactions energy: -1549.598 where: short stacking energy: -669.136 Base-Backbone interact. energy: -3.273 local terms energy: -697.048452 where: bonds (distance) C4'-P energy: -139.654 bonds (distance) P-C4' energy: -121.859 flat angles C4'-P-C4' energy: -150.538 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -190.164 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: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -2275.020682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.020682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.020682 (E_RNA) where: Base-Base interactions energy: -1573.496 where: short stacking energy: -683.092 Base-Backbone interact. energy: -2.942 local terms energy: -698.582760 where: bonds (distance) C4'-P energy: -131.961 bonds (distance) P-C4' energy: -112.273 flat angles C4'-P-C4' energy: -145.516 flat angles P-C4'-P energy: -105.965 tors. eta vs tors. theta energy: -202.867 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -2101.618262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.618262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.618262 (E_RNA) where: Base-Base interactions energy: -1455.448 where: short stacking energy: -599.678 Base-Backbone interact. energy: -2.586 local terms energy: -643.583995 where: bonds (distance) C4'-P energy: -110.456 bonds (distance) P-C4' energy: -118.813 flat angles C4'-P-C4' energy: -138.801 flat angles P-C4'-P energy: -95.990 tors. eta vs tors. theta energy: -179.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1899.672742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.672742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.672742 (E_RNA) where: Base-Base interactions energy: -1327.142 where: short stacking energy: -546.016 Base-Backbone interact. energy: -1.715 local terms energy: -570.816176 where: bonds (distance) C4'-P energy: -109.969 bonds (distance) P-C4' energy: -112.212 flat angles C4'-P-C4' energy: -128.625 flat angles P-C4'-P energy: -82.820 tors. eta vs tors. theta energy: -137.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1606.240086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.240086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.240086 (E_RNA) where: Base-Base interactions energy: -1083.431 where: short stacking energy: -493.502 Base-Backbone interact. energy: -2.103 local terms energy: -520.705920 where: bonds (distance) C4'-P energy: -109.841 bonds (distance) P-C4' energy: -104.412 flat angles C4'-P-C4' energy: -115.931 flat angles P-C4'-P energy: -73.378 tors. eta vs tors. theta energy: -117.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1581.737968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.737968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.737968 (E_RNA) where: Base-Base interactions energy: -1053.757 where: short stacking energy: -448.974 Base-Backbone interact. energy: 7.315 local terms energy: -535.296345 where: bonds (distance) C4'-P energy: -116.075 bonds (distance) P-C4' energy: -121.512 flat angles C4'-P-C4' energy: -126.838 flat angles P-C4'-P energy: -61.060 tors. eta vs tors. theta energy: -109.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -1458.344007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.344007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.344007 (E_RNA) where: Base-Base interactions energy: -979.490 where: short stacking energy: -421.765 Base-Backbone interact. energy: 2.642 local terms energy: -481.495635 where: bonds (distance) C4'-P energy: -108.580 bonds (distance) P-C4' energy: -100.297 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -63.702 tors. eta vs tors. theta energy: -98.712 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: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1120.609019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.609019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.609019 (E_RNA) where: Base-Base interactions energy: -667.909 where: short stacking energy: -305.040 Base-Backbone interact. energy: -1.582 local terms energy: -451.118570 where: bonds (distance) C4'-P energy: -89.007 bonds (distance) P-C4' energy: -116.597 flat angles C4'-P-C4' energy: -109.705 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -65.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -2434.930563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.930563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.930563 (E_RNA) where: Base-Base interactions energy: -1712.540 where: short stacking energy: -720.378 Base-Backbone interact. energy: -3.170 local terms energy: -719.221285 where: bonds (distance) C4'-P energy: -129.317 bonds (distance) P-C4' energy: -141.105 flat angles C4'-P-C4' energy: -159.860 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -205.686 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: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -2408.767434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.767434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.767434 (E_RNA) where: Base-Base interactions energy: -1676.651 where: short stacking energy: -731.519 Base-Backbone interact. energy: 0.180 local terms energy: -732.296342 where: bonds (distance) C4'-P energy: -139.605 bonds (distance) P-C4' energy: -113.168 flat angles C4'-P-C4' energy: -151.959 flat angles P-C4'-P energy: -110.246 tors. eta vs tors. theta energy: -217.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -2298.318691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.318691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.318691 (E_RNA) where: Base-Base interactions energy: -1595.687 where: short stacking energy: -668.940 Base-Backbone interact. energy: -2.077 local terms energy: -700.554757 where: bonds (distance) C4'-P energy: -132.816 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -153.492 flat angles P-C4'-P energy: -104.675 tors. eta vs tors. theta energy: -182.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -2184.764402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.764402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.764402 (E_RNA) where: Base-Base interactions energy: -1501.498 where: short stacking energy: -647.391 Base-Backbone interact. energy: -2.647 local terms energy: -680.619379 where: bonds (distance) C4'-P energy: -122.453 bonds (distance) P-C4' energy: -130.818 flat angles C4'-P-C4' energy: -136.864 flat angles P-C4'-P energy: -100.093 tors. eta vs tors. theta energy: -190.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -2072.802401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.802401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.802401 (E_RNA) where: Base-Base interactions energy: -1426.085 where: short stacking energy: -603.715 Base-Backbone interact. energy: -2.523 local terms energy: -644.194275 where: bonds (distance) C4'-P energy: -127.180 bonds (distance) P-C4' energy: -113.397 flat angles C4'-P-C4' energy: -132.831 flat angles P-C4'-P energy: -90.746 tors. eta vs tors. theta energy: -180.039 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: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1926.070590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.070590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.070590 (E_RNA) where: Base-Base interactions energy: -1316.545 where: short stacking energy: -556.072 Base-Backbone interact. energy: -4.698 local terms energy: -604.828003 where: bonds (distance) C4'-P energy: -124.157 bonds (distance) P-C4' energy: -117.478 flat angles C4'-P-C4' energy: -126.429 flat angles P-C4'-P energy: -82.022 tors. eta vs tors. theta energy: -154.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1652.497501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.497501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.497501 (E_RNA) where: Base-Base interactions energy: -1095.602 where: short stacking energy: -459.983 Base-Backbone interact. energy: -2.749 local terms energy: -554.146974 where: bonds (distance) C4'-P energy: -111.090 bonds (distance) P-C4' energy: -111.721 flat angles C4'-P-C4' energy: -136.283 flat angles P-C4'-P energy: -73.108 tors. eta vs tors. theta energy: -121.945 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1531.351793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.351793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.351793 (E_RNA) where: Base-Base interactions energy: -1056.451 where: short stacking energy: -449.850 Base-Backbone interact. energy: 1.049 local terms energy: -475.950683 where: bonds (distance) C4'-P energy: -98.908 bonds (distance) P-C4' energy: -109.420 flat angles C4'-P-C4' energy: -102.963 flat angles P-C4'-P energy: -60.986 tors. eta vs tors. theta energy: -103.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -1489.599988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.599988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.599988 (E_RNA) where: Base-Base interactions energy: -992.344 where: short stacking energy: -446.091 Base-Backbone interact. energy: -3.838 local terms energy: -493.418305 where: bonds (distance) C4'-P energy: -90.791 bonds (distance) P-C4' energy: -113.338 flat angles C4'-P-C4' energy: -120.324 flat angles P-C4'-P energy: -68.079 tors. eta vs tors. theta energy: -100.885 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: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -1098.175857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.175857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.175857 (E_RNA) where: Base-Base interactions energy: -675.480 where: short stacking energy: -328.604 Base-Backbone interact. energy: 2.224 local terms energy: -424.919365 where: bonds (distance) C4'-P energy: -97.395 bonds (distance) P-C4' energy: -98.435 flat angles C4'-P-C4' energy: -111.397 flat angles P-C4'-P energy: -58.075 tors. eta vs tors. theta energy: -59.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -2416.276759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.276759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.276759 (E_RNA) where: Base-Base interactions energy: -1702.809 where: short stacking energy: -719.357 Base-Backbone interact. energy: -4.002 local terms energy: -709.465364 where: bonds (distance) C4'-P energy: -136.400 bonds (distance) P-C4' energy: -132.389 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -92.500 tors. eta vs tors. theta energy: -197.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2385.652957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.652957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.652957 (E_RNA) where: Base-Base interactions energy: -1657.268 where: short stacking energy: -732.122 Base-Backbone interact. energy: 0.755 local terms energy: -729.140390 where: bonds (distance) C4'-P energy: -130.015 bonds (distance) P-C4' energy: -137.176 flat angles C4'-P-C4' energy: -142.528 flat angles P-C4'-P energy: -101.416 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: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -2330.486316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.486316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.486316 (E_RNA) where: Base-Base interactions energy: -1635.158 where: short stacking energy: -695.437 Base-Backbone interact. energy: -1.669 local terms energy: -693.658954 where: bonds (distance) C4'-P energy: -118.436 bonds (distance) P-C4' energy: -133.750 flat angles C4'-P-C4' energy: -155.741 flat angles P-C4'-P energy: -91.000 tors. eta vs tors. theta energy: -194.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -2197.573890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.573890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.573890 (E_RNA) where: Base-Base interactions energy: -1528.518 where: short stacking energy: -662.841 Base-Backbone interact. energy: -0.058 local terms energy: -668.997740 where: bonds (distance) C4'-P energy: -124.583 bonds (distance) P-C4' energy: -123.129 flat angles C4'-P-C4' energy: -137.373 flat angles P-C4'-P energy: -100.372 tors. eta vs tors. theta energy: -183.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -2085.466608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.466608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.466608 (E_RNA) where: Base-Base interactions energy: -1413.339 where: short stacking energy: -597.716 Base-Backbone interact. energy: -0.787 local terms energy: -671.340057 where: bonds (distance) C4'-P energy: -112.346 bonds (distance) P-C4' energy: -141.024 flat angles C4'-P-C4' energy: -134.210 flat angles P-C4'-P energy: -92.241 tors. eta vs tors. theta energy: -191.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1892.778088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.778088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.778088 (E_RNA) where: Base-Base interactions energy: -1306.540 where: short stacking energy: -545.232 Base-Backbone interact. energy: -3.587 local terms energy: -582.651542 where: bonds (distance) C4'-P energy: -105.964 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -136.938 flat angles P-C4'-P energy: -91.131 tors. eta vs tors. theta energy: -147.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1650.620400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.620400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.620400 (E_RNA) where: Base-Base interactions energy: -1099.841 where: short stacking energy: -489.696 Base-Backbone interact. energy: -3.215 local terms energy: -547.564185 where: bonds (distance) C4'-P energy: -113.465 bonds (distance) P-C4' energy: -117.906 flat angles C4'-P-C4' energy: -127.135 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -114.427 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1583.437313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.437313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.437313 (E_RNA) where: Base-Base interactions energy: -1085.069 where: short stacking energy: -467.290 Base-Backbone interact. energy: 0.001 local terms energy: -498.369513 where: bonds (distance) C4'-P energy: -101.724 bonds (distance) P-C4' energy: -111.499 flat angles C4'-P-C4' energy: -121.443 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: -110.366 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: 11 Temperature: 1.300000 Total energy: -1484.549665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.549665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.549665 (E_RNA) where: Base-Base interactions energy: -986.110 where: short stacking energy: -413.295 Base-Backbone interact. energy: -1.110 local terms energy: -497.329428 where: bonds (distance) C4'-P energy: -108.506 bonds (distance) P-C4' energy: -102.674 flat angles C4'-P-C4' energy: -113.144 flat angles P-C4'-P energy: -75.448 tors. eta vs tors. theta energy: -97.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1019.219332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.219332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.219332 (E_RNA) where: Base-Base interactions energy: -607.456 where: short stacking energy: -288.043 Base-Backbone interact. energy: -1.199 local terms energy: -410.564692 where: bonds (distance) C4'-P energy: -94.929 bonds (distance) P-C4' energy: -98.622 flat angles C4'-P-C4' energy: -101.408 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: -44.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2407.750593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.750593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.750593 (E_RNA) where: Base-Base interactions energy: -1678.522 where: short stacking energy: -717.804 Base-Backbone interact. energy: -1.767 local terms energy: -727.462388 where: bonds (distance) C4'-P energy: -130.100 bonds (distance) P-C4' energy: -146.874 flat angles C4'-P-C4' energy: -146.512 flat angles P-C4'-P energy: -97.464 tors. eta vs tors. theta energy: -206.513 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -2387.622883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.622883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.622883 (E_RNA) where: Base-Base interactions energy: -1672.370 where: short stacking energy: -718.510 Base-Backbone interact. energy: 0.706 local terms energy: -715.959519 where: bonds (distance) C4'-P energy: -122.763 bonds (distance) P-C4' energy: -115.347 flat angles C4'-P-C4' energy: -150.478 flat angles P-C4'-P energy: -107.961 tors. eta vs tors. theta energy: -219.411 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: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -2306.725477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.725477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.725477 (E_RNA) where: Base-Base interactions energy: -1628.161 where: short stacking energy: -679.941 Base-Backbone interact. energy: -0.741 local terms energy: -677.823442 where: bonds (distance) C4'-P energy: -107.204 bonds (distance) P-C4' energy: -128.829 flat angles C4'-P-C4' energy: -149.615 flat angles P-C4'-P energy: -94.494 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: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -2203.051193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.051193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.051193 (E_RNA) where: Base-Base interactions energy: -1548.003 where: short stacking energy: -641.872 Base-Backbone interact. energy: -2.260 local terms energy: -652.788738 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -119.850 flat angles C4'-P-C4' energy: -132.996 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -186.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -2108.720787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.720787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.720787 (E_RNA) where: Base-Base interactions energy: -1448.693 where: short stacking energy: -610.460 Base-Backbone interact. energy: 0.976 local terms energy: -661.003037 where: bonds (distance) C4'-P energy: -113.564 bonds (distance) P-C4' energy: -135.096 flat angles C4'-P-C4' energy: -148.967 flat angles P-C4'-P energy: -85.755 tors. eta vs tors. theta energy: -177.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1849.030454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.030454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.030454 (E_RNA) where: Base-Base interactions energy: -1232.211 where: short stacking energy: -558.277 Base-Backbone interact. energy: -0.510 local terms energy: -616.309624 where: bonds (distance) C4'-P energy: -122.248 bonds (distance) P-C4' energy: -114.720 flat angles C4'-P-C4' energy: -146.972 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -149.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1720.587849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.587849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.587849 (E_RNA) where: Base-Base interactions energy: -1183.393 where: short stacking energy: -499.017 Base-Backbone interact. energy: -3.549 local terms energy: -533.646262 where: bonds (distance) C4'-P energy: -110.133 bonds (distance) P-C4' energy: -101.187 flat angles C4'-P-C4' energy: -126.240 flat angles P-C4'-P energy: -68.015 tors. eta vs tors. theta energy: -128.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1553.304891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.304891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.304891 (E_RNA) where: Base-Base interactions energy: -1050.800 where: short stacking energy: -423.741 Base-Backbone interact. energy: 2.410 local terms energy: -504.915506 where: bonds (distance) C4'-P energy: -103.992 bonds (distance) P-C4' energy: -104.345 flat angles C4'-P-C4' energy: -107.414 flat angles P-C4'-P energy: -80.219 tors. eta vs tors. theta energy: -108.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1405.329377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.329377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.329377 (E_RNA) where: Base-Base interactions energy: -935.389 where: short stacking energy: -414.583 Base-Backbone interact. energy: 0.538 local terms energy: -470.478776 where: bonds (distance) C4'-P energy: -120.718 bonds (distance) P-C4' energy: -101.540 flat angles C4'-P-C4' energy: -120.432 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -78.889 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: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1077.044997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.044997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.044997 (E_RNA) where: Base-Base interactions energy: -654.936 where: short stacking energy: -314.795 Base-Backbone interact. energy: 1.787 local terms energy: -423.896057 where: bonds (distance) C4'-P energy: -109.595 bonds (distance) P-C4' energy: -123.665 flat angles C4'-P-C4' energy: -101.306 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -40.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2433.638447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.638447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.638447 (E_RNA) where: Base-Base interactions energy: -1688.806 where: short stacking energy: -721.872 Base-Backbone interact. energy: -4.361 local terms energy: -740.470759 where: bonds (distance) C4'-P energy: -116.703 bonds (distance) P-C4' energy: -144.827 flat angles C4'-P-C4' energy: -162.961 flat angles P-C4'-P energy: -98.220 tors. eta vs tors. theta energy: -217.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2405.056484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.056484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.056484 (E_RNA) where: Base-Base interactions energy: -1682.788 where: short stacking energy: -718.800 Base-Backbone interact. energy: -2.731 local terms energy: -719.536689 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -124.400 flat angles C4'-P-C4' energy: -142.732 flat angles P-C4'-P energy: -110.886 tors. eta vs tors. theta energy: -218.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -2295.967185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.967185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.967185 (E_RNA) where: Base-Base interactions energy: -1599.153 where: short stacking energy: -687.065 Base-Backbone interact. energy: -3.484 local terms energy: -693.329710 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -117.627 flat angles C4'-P-C4' energy: -155.883 flat angles P-C4'-P energy: -92.033 tors. eta vs tors. theta energy: -201.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -2182.945930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.945930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.945930 (E_RNA) where: Base-Base interactions energy: -1524.168 where: short stacking energy: -646.141 Base-Backbone interact. energy: 0.218 local terms energy: -658.996206 where: bonds (distance) C4'-P energy: -113.857 bonds (distance) P-C4' energy: -130.298 flat angles C4'-P-C4' energy: -135.348 flat angles P-C4'-P energy: -97.553 tors. eta vs tors. theta energy: -181.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -2092.730854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.730854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.730854 (E_RNA) where: Base-Base interactions energy: -1490.956 where: short stacking energy: -642.865 Base-Backbone interact. energy: -3.698 local terms energy: -598.076631 where: bonds (distance) C4'-P energy: -109.106 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -143.233 flat angles P-C4'-P energy: -77.992 tors. eta vs tors. theta energy: -177.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1879.167223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.167223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.167223 (E_RNA) where: Base-Base interactions energy: -1282.233 where: short stacking energy: -552.157 Base-Backbone interact. energy: 7.260 local terms energy: -604.194796 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -119.037 flat angles C4'-P-C4' energy: -131.454 flat angles P-C4'-P energy: -92.304 tors. eta vs tors. theta energy: -152.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1725.208460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.208460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.208460 (E_RNA) where: Base-Base interactions energy: -1167.705 where: short stacking energy: -504.445 Base-Backbone interact. energy: 0.017 local terms energy: -557.520075 where: bonds (distance) C4'-P energy: -108.939 bonds (distance) P-C4' energy: -111.390 flat angles C4'-P-C4' energy: -131.232 flat angles P-C4'-P energy: -76.968 tors. eta vs tors. theta energy: -128.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1551.060492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.060492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.060492 (E_RNA) where: Base-Base interactions energy: -1016.001 where: short stacking energy: -429.307 Base-Backbone interact. energy: 4.466 local terms energy: -539.525631 where: bonds (distance) C4'-P energy: -123.867 bonds (distance) P-C4' energy: -120.496 flat angles C4'-P-C4' energy: -130.825 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -101.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1567.323223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.323223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.323223 (E_RNA) where: Base-Base interactions energy: -1042.681 where: short stacking energy: -430.703 Base-Backbone interact. energy: -1.925 local terms energy: -522.717089 where: bonds (distance) C4'-P energy: -108.408 bonds (distance) P-C4' energy: -125.108 flat angles C4'-P-C4' energy: -112.202 flat angles P-C4'-P energy: -79.053 tors. eta vs tors. theta energy: -97.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1014.176382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.176382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.176382 (E_RNA) where: Base-Base interactions energy: -653.823 where: short stacking energy: -288.556 Base-Backbone interact. energy: 3.013 local terms energy: -363.366906 where: bonds (distance) C4'-P energy: -103.734 bonds (distance) P-C4' energy: -89.161 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -15.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2421.826651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.826651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.826651 (E_RNA) where: Base-Base interactions energy: -1680.846 where: short stacking energy: -723.055 Base-Backbone interact. energy: -2.759 local terms energy: -738.221670 where: bonds (distance) C4'-P energy: -127.106 bonds (distance) P-C4' energy: -133.069 flat angles C4'-P-C4' energy: -158.359 flat angles P-C4'-P energy: -105.051 tors. eta vs tors. theta energy: -214.638 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: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -2392.020997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.020997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.020997 (E_RNA) where: Base-Base interactions energy: -1661.952 where: short stacking energy: -711.228 Base-Backbone interact. energy: -1.065 local terms energy: -729.004504 where: bonds (distance) C4'-P energy: -123.950 bonds (distance) P-C4' energy: -125.451 flat angles C4'-P-C4' energy: -152.064 flat angles P-C4'-P energy: -108.769 tors. eta vs tors. theta energy: -218.771 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: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2301.462744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.462744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.462744 (E_RNA) where: Base-Base interactions energy: -1611.253 where: short stacking energy: -648.584 Base-Backbone interact. energy: -3.347 local terms energy: -686.863102 where: bonds (distance) C4'-P energy: -125.398 bonds (distance) P-C4' energy: -123.854 flat angles C4'-P-C4' energy: -148.019 flat angles P-C4'-P energy: -107.531 tors. eta vs tors. theta energy: -182.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -2190.854281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.854281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.854281 (E_RNA) where: Base-Base interactions energy: -1575.070 where: short stacking energy: -646.208 Base-Backbone interact. energy: -1.264 local terms energy: -614.520272 where: bonds (distance) C4'-P energy: -107.691 bonds (distance) P-C4' energy: -110.270 flat angles C4'-P-C4' energy: -128.585 flat angles P-C4'-P energy: -83.447 tors. eta vs tors. theta energy: -184.526 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: 14 Temperature: 1.100000 Total energy: -2099.147418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.147418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.147418 (E_RNA) where: Base-Base interactions energy: -1483.197 where: short stacking energy: -659.737 Base-Backbone interact. energy: -1.303 local terms energy: -614.646812 where: bonds (distance) C4'-P energy: -106.764 bonds (distance) P-C4' energy: -110.528 flat angles C4'-P-C4' energy: -134.242 flat angles P-C4'-P energy: -83.665 tors. eta vs tors. theta energy: -179.448 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: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1822.381866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.381866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.381866 (E_RNA) where: Base-Base interactions energy: -1236.562 where: short stacking energy: -536.685 Base-Backbone interact. energy: -4.543 local terms energy: -581.276561 where: bonds (distance) C4'-P energy: -115.701 bonds (distance) P-C4' energy: -109.656 flat angles C4'-P-C4' energy: -132.811 flat angles P-C4'-P energy: -85.263 tors. eta vs tors. theta energy: -137.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1866.634946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.634946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.634946 (E_RNA) where: Base-Base interactions energy: -1257.683 where: short stacking energy: -517.585 Base-Backbone interact. energy: -0.938 local terms energy: -608.014012 where: bonds (distance) C4'-P energy: -124.553 bonds (distance) P-C4' energy: -111.428 flat angles C4'-P-C4' energy: -140.465 flat angles P-C4'-P energy: -95.414 tors. eta vs tors. theta energy: -136.154 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: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1561.024837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.024837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.024837 (E_RNA) where: Base-Base interactions energy: -1050.245 where: short stacking energy: -456.235 Base-Backbone interact. energy: -1.837 local terms energy: -508.942945 where: bonds (distance) C4'-P energy: -89.849 bonds (distance) P-C4' energy: -118.437 flat angles C4'-P-C4' energy: -104.012 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -110.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1557.099853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.099853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.099853 (E_RNA) where: Base-Base interactions energy: -1037.973 where: short stacking energy: -437.762 Base-Backbone interact. energy: -3.075 local terms energy: -516.052273 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -108.132 flat angles C4'-P-C4' energy: -122.709 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -111.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1096.102518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.102518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.102518 (E_RNA) where: Base-Base interactions energy: -650.203 where: short stacking energy: -301.036 Base-Backbone interact. energy: -4.384 local terms energy: -441.516012 where: bonds (distance) C4'-P energy: -111.714 bonds (distance) P-C4' energy: -122.156 flat angles C4'-P-C4' energy: -108.808 flat angles P-C4'-P energy: -55.110 tors. eta vs tors. theta energy: -43.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2414.384906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.384906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.384906 (E_RNA) where: Base-Base interactions energy: -1697.425 where: short stacking energy: -722.696 Base-Backbone interact. energy: -4.290 local terms energy: -712.669642 where: bonds (distance) C4'-P energy: -116.326 bonds (distance) P-C4' energy: -131.785 flat angles C4'-P-C4' energy: -147.195 flat angles P-C4'-P energy: -98.703 tors. eta vs tors. theta energy: -218.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2378.613019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.613019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.613019 (E_RNA) where: Base-Base interactions energy: -1653.001 where: short stacking energy: -701.249 Base-Backbone interact. energy: -1.176 local terms energy: -724.436272 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -134.505 flat angles C4'-P-C4' energy: -146.561 flat angles P-C4'-P energy: -98.302 tors. eta vs tors. theta energy: -212.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2328.460085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.460085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.460085 (E_RNA) where: Base-Base interactions energy: -1651.185 where: short stacking energy: -689.904 Base-Backbone interact. energy: -2.304 local terms energy: -674.971178 where: bonds (distance) C4'-P energy: -107.260 bonds (distance) P-C4' energy: -135.105 flat angles C4'-P-C4' energy: -145.131 flat angles P-C4'-P energy: -93.802 tors. eta vs tors. theta energy: -193.673 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: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -2165.637982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.637982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.637982 (E_RNA) where: Base-Base interactions energy: -1558.919 where: short stacking energy: -634.727 Base-Backbone interact. energy: 2.898 local terms energy: -609.616447 where: bonds (distance) C4'-P energy: -119.096 bonds (distance) P-C4' energy: -122.205 flat angles C4'-P-C4' energy: -124.625 flat angles P-C4'-P energy: -76.150 tors. eta vs tors. theta energy: -167.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -2046.724205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.724205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.724205 (E_RNA) where: Base-Base interactions energy: -1417.626 where: short stacking energy: -584.540 Base-Backbone interact. energy: -2.519 local terms energy: -626.578935 where: bonds (distance) C4'-P energy: -124.650 bonds (distance) P-C4' energy: -112.341 flat angles C4'-P-C4' energy: -137.789 flat angles P-C4'-P energy: -85.485 tors. eta vs tors. theta energy: -166.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1835.518603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.518603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.518603 (E_RNA) where: Base-Base interactions energy: -1262.974 where: short stacking energy: -520.842 Base-Backbone interact. energy: -2.526 local terms energy: -570.018348 where: bonds (distance) C4'-P energy: -105.415 bonds (distance) P-C4' energy: -109.138 flat angles C4'-P-C4' energy: -129.339 flat angles P-C4'-P energy: -87.166 tors. eta vs tors. theta energy: -138.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1862.351208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.351208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.351208 (E_RNA) where: Base-Base interactions energy: -1280.103 where: short stacking energy: -552.009 Base-Backbone interact. energy: 8.597 local terms energy: -590.844637 where: bonds (distance) C4'-P energy: -117.788 bonds (distance) P-C4' energy: -112.195 flat angles C4'-P-C4' energy: -141.337 flat angles P-C4'-P energy: -80.323 tors. eta vs tors. theta energy: -139.201 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: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1638.439742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.439742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.439742 (E_RNA) where: Base-Base interactions energy: -1119.992 where: short stacking energy: -472.595 Base-Backbone interact. energy: -3.674 local terms energy: -514.773604 where: bonds (distance) C4'-P energy: -114.923 bonds (distance) P-C4' energy: -84.456 flat angles C4'-P-C4' energy: -129.267 flat angles P-C4'-P energy: -71.707 tors. eta vs tors. theta energy: -114.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1502.702894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.702894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.702894 (E_RNA) where: Base-Base interactions energy: -974.091 where: short stacking energy: -417.416 Base-Backbone interact. energy: 1.592 local terms energy: -530.204280 where: bonds (distance) C4'-P energy: -115.447 bonds (distance) P-C4' energy: -119.830 flat angles C4'-P-C4' energy: -110.043 flat angles P-C4'-P energy: -89.666 tors. eta vs tors. theta energy: -95.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1061.866735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.866735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.866735 (E_RNA) where: Base-Base interactions energy: -650.596 where: short stacking energy: -294.706 Base-Backbone interact. energy: 1.498 local terms energy: -412.768271 where: bonds (distance) C4'-P energy: -96.104 bonds (distance) P-C4' energy: -113.871 flat angles C4'-P-C4' energy: -110.063 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -31.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2439.020970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.020970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.020970 (E_RNA) where: Base-Base interactions energy: -1682.678 where: short stacking energy: -721.420 Base-Backbone interact. energy: -2.636 local terms energy: -753.706236 where: bonds (distance) C4'-P energy: -139.031 bonds (distance) P-C4' energy: -127.637 flat angles C4'-P-C4' energy: -157.928 flat angles P-C4'-P energy: -107.990 tors. eta vs tors. theta energy: -221.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2367.040166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.040166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.040166 (E_RNA) where: Base-Base interactions energy: -1655.573 where: short stacking energy: -685.770 Base-Backbone interact. energy: -1.740 local terms energy: -709.726965 where: bonds (distance) C4'-P energy: -107.320 bonds (distance) P-C4' energy: -140.600 flat angles C4'-P-C4' energy: -147.810 flat angles P-C4'-P energy: -98.212 tors. eta vs tors. theta energy: -215.785 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: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2343.531966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.531966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.531966 (E_RNA) where: Base-Base interactions energy: -1656.102 where: short stacking energy: -702.813 Base-Backbone interact. energy: 0.384 local terms energy: -687.814097 where: bonds (distance) C4'-P energy: -128.244 bonds (distance) P-C4' energy: -115.145 flat angles C4'-P-C4' energy: -140.840 flat angles P-C4'-P energy: -101.848 tors. eta vs tors. theta energy: -201.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -2119.536070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.536070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.536070 (E_RNA) where: Base-Base interactions energy: -1464.141 where: short stacking energy: -594.788 Base-Backbone interact. energy: -0.556 local terms energy: -654.838998 where: bonds (distance) C4'-P energy: -128.672 bonds (distance) P-C4' energy: -125.479 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -93.000 tors. eta vs tors. theta energy: -169.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -2081.471243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.471243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.471243 (E_RNA) where: Base-Base interactions energy: -1439.480 where: short stacking energy: -572.559 Base-Backbone interact. energy: -3.718 local terms energy: -638.273350 where: bonds (distance) C4'-P energy: -117.588 bonds (distance) P-C4' energy: -131.100 flat angles C4'-P-C4' energy: -129.114 flat angles P-C4'-P energy: -94.870 tors. eta vs tors. theta energy: -165.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1871.850704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.850704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.850704 (E_RNA) where: Base-Base interactions energy: -1296.636 where: short stacking energy: -554.019 Base-Backbone interact. energy: -1.877 local terms energy: -573.337471 where: bonds (distance) C4'-P energy: -112.314 bonds (distance) P-C4' energy: -107.607 flat angles C4'-P-C4' energy: -134.350 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -138.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1898.955963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.955963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.955963 (E_RNA) where: Base-Base interactions energy: -1321.911 where: short stacking energy: -546.955 Base-Backbone interact. energy: 4.879 local terms energy: -581.923847 where: bonds (distance) C4'-P energy: -105.246 bonds (distance) P-C4' energy: -128.148 flat angles C4'-P-C4' energy: -128.956 flat angles P-C4'-P energy: -77.217 tors. eta vs tors. theta energy: -142.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1679.313653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.313653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.313653 (E_RNA) where: Base-Base interactions energy: -1157.068 where: short stacking energy: -495.048 Base-Backbone interact. energy: 1.862 local terms energy: -524.107328 where: bonds (distance) C4'-P energy: -99.212 bonds (distance) P-C4' energy: -117.510 flat angles C4'-P-C4' energy: -112.718 flat angles P-C4'-P energy: -70.150 tors. eta vs tors. theta energy: -124.516 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: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1483.902686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.902686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.902686 (E_RNA) where: Base-Base interactions energy: -965.494 where: short stacking energy: -410.615 Base-Backbone interact. energy: 0.612 local terms energy: -519.021381 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -112.681 flat angles C4'-P-C4' energy: -112.255 flat angles P-C4'-P energy: -78.278 tors. eta vs tors. theta energy: -107.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1023.864799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.864799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.864799 (E_RNA) where: Base-Base interactions energy: -607.818 where: short stacking energy: -280.796 Base-Backbone interact. energy: 2.112 local terms energy: -418.158595 where: bonds (distance) C4'-P energy: -96.110 bonds (distance) P-C4' energy: -104.833 flat angles C4'-P-C4' energy: -99.403 flat angles P-C4'-P energy: -75.778 tors. eta vs tors. theta energy: -42.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2419.455675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.455675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.455675 (E_RNA) where: Base-Base interactions energy: -1673.116 where: short stacking energy: -729.700 Base-Backbone interact. energy: -2.610 local terms energy: -743.729609 where: bonds (distance) C4'-P energy: -131.010 bonds (distance) P-C4' energy: -132.855 flat angles C4'-P-C4' energy: -150.059 flat angles P-C4'-P energy: -108.201 tors. eta vs tors. theta energy: -221.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2422.238642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.238642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.238642 (E_RNA) where: Base-Base interactions energy: -1699.504 where: short stacking energy: -702.095 Base-Backbone interact. energy: 2.418 local terms energy: -725.152554 where: bonds (distance) C4'-P energy: -128.973 bonds (distance) P-C4' energy: -129.842 flat angles C4'-P-C4' energy: -152.488 flat angles P-C4'-P energy: -104.681 tors. eta vs tors. theta energy: -209.169 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: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -2302.362932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.362932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.362932 (E_RNA) where: Base-Base interactions energy: -1601.958 where: short stacking energy: -679.512 Base-Backbone interact. energy: -2.125 local terms energy: -698.279927 where: bonds (distance) C4'-P energy: -139.510 bonds (distance) P-C4' energy: -119.336 flat angles C4'-P-C4' energy: -138.519 flat angles P-C4'-P energy: -101.749 tors. eta vs tors. theta energy: -199.166 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: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2166.693426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.693426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.693426 (E_RNA) where: Base-Base interactions energy: -1510.848 where: short stacking energy: -619.085 Base-Backbone interact. energy: -3.178 local terms energy: -652.667418 where: bonds (distance) C4'-P energy: -116.857 bonds (distance) P-C4' energy: -127.860 flat angles C4'-P-C4' energy: -142.435 flat angles P-C4'-P energy: -92.099 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: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -2055.029992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.029992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.029992 (E_RNA) where: Base-Base interactions energy: -1436.392 where: short stacking energy: -597.882 Base-Backbone interact. energy: -4.495 local terms energy: -614.142720 where: bonds (distance) C4'-P energy: -104.498 bonds (distance) P-C4' energy: -112.470 flat angles C4'-P-C4' energy: -132.619 flat angles P-C4'-P energy: -96.424 tors. eta vs tors. theta energy: -168.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -2014.672280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.672280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.672280 (E_RNA) where: Base-Base interactions energy: -1401.835 where: short stacking energy: -594.431 Base-Backbone interact. energy: -3.279 local terms energy: -609.558343 where: bonds (distance) C4'-P energy: -120.358 bonds (distance) P-C4' energy: -108.544 flat angles C4'-P-C4' energy: -140.560 flat angles P-C4'-P energy: -79.693 tors. eta vs tors. theta energy: -160.403 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: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1770.453208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.453208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.453208 (E_RNA) where: Base-Base interactions energy: -1228.396 where: short stacking energy: -524.910 Base-Backbone interact. energy: 0.326 local terms energy: -542.382585 where: bonds (distance) C4'-P energy: -107.177 bonds (distance) P-C4' energy: -111.918 flat angles C4'-P-C4' energy: -107.263 flat angles P-C4'-P energy: -70.063 tors. eta vs tors. theta energy: -145.961 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: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1685.821772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.821772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.821772 (E_RNA) where: Base-Base interactions energy: -1152.343 where: short stacking energy: -472.378 Base-Backbone interact. energy: -0.489 local terms energy: -532.990201 where: bonds (distance) C4'-P energy: -98.841 bonds (distance) P-C4' energy: -124.967 flat angles C4'-P-C4' energy: -119.433 flat angles P-C4'-P energy: -70.585 tors. eta vs tors. theta energy: -119.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1478.889762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.889762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.889762 (E_RNA) where: Base-Base interactions energy: -984.147 where: short stacking energy: -422.147 Base-Backbone interact. energy: -2.470 local terms energy: -492.272512 where: bonds (distance) C4'-P energy: -105.126 bonds (distance) P-C4' energy: -120.506 flat angles C4'-P-C4' energy: -118.304 flat angles P-C4'-P energy: -66.038 tors. eta vs tors. theta energy: -82.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1038.706443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.706443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.706443 (E_RNA) where: Base-Base interactions energy: -641.799 where: short stacking energy: -297.227 Base-Backbone interact. energy: -1.357 local terms energy: -395.550054 where: bonds (distance) C4'-P energy: -85.489 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -111.552 flat angles P-C4'-P energy: -73.568 tors. eta vs tors. theta energy: -26.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2425.391895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.391895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.391895 (E_RNA) where: Base-Base interactions energy: -1693.985 where: short stacking energy: -718.703 Base-Backbone interact. energy: -2.836 local terms energy: -728.570830 where: bonds (distance) C4'-P energy: -130.411 bonds (distance) P-C4' energy: -132.525 flat angles C4'-P-C4' energy: -137.940 flat angles P-C4'-P energy: -106.133 tors. eta vs tors. theta energy: -221.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2401.307845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.307845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.307845 (E_RNA) where: Base-Base interactions energy: -1697.049 where: short stacking energy: -725.929 Base-Backbone interact. energy: -1.125 local terms energy: -703.133734 where: bonds (distance) C4'-P energy: -128.743 bonds (distance) P-C4' energy: -118.708 flat angles C4'-P-C4' energy: -147.961 flat angles P-C4'-P energy: -96.394 tors. eta vs tors. theta energy: -211.328 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: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2334.034000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.034000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.034000 (E_RNA) where: Base-Base interactions energy: -1644.568 where: short stacking energy: -690.874 Base-Backbone interact. energy: -2.153 local terms energy: -687.313335 where: bonds (distance) C4'-P energy: -117.573 bonds (distance) P-C4' energy: -123.083 flat angles C4'-P-C4' energy: -138.890 flat angles P-C4'-P energy: -97.734 tors. eta vs tors. theta energy: -210.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -2177.291581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.291581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.291581 (E_RNA) where: Base-Base interactions energy: -1512.861 where: short stacking energy: -640.428 Base-Backbone interact. energy: -0.620 local terms energy: -663.810339 where: bonds (distance) C4'-P energy: -108.231 bonds (distance) P-C4' energy: -135.881 flat angles C4'-P-C4' energy: -130.792 flat angles P-C4'-P energy: -98.802 tors. eta vs tors. theta energy: -190.104 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -2090.966998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.966998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.966998 (E_RNA) where: Base-Base interactions energy: -1467.878 where: short stacking energy: -644.662 Base-Backbone interact. energy: -1.692 local terms energy: -621.397162 where: bonds (distance) C4'-P energy: -109.347 bonds (distance) P-C4' energy: -114.795 flat angles C4'-P-C4' energy: -138.669 flat angles P-C4'-P energy: -84.338 tors. eta vs tors. theta energy: -174.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1988.234923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.234923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.234923 (E_RNA) where: Base-Base interactions energy: -1366.683 where: short stacking energy: -576.552 Base-Backbone interact. energy: -0.136 local terms energy: -621.416066 where: bonds (distance) C4'-P energy: -122.993 bonds (distance) P-C4' energy: -120.583 flat angles C4'-P-C4' energy: -135.279 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -163.461 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: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1811.832451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.832451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.832451 (E_RNA) where: Base-Base interactions energy: -1247.331 where: short stacking energy: -535.228 Base-Backbone interact. energy: -2.076 local terms energy: -562.425972 where: bonds (distance) C4'-P energy: -100.758 bonds (distance) P-C4' energy: -116.124 flat angles C4'-P-C4' energy: -137.087 flat angles P-C4'-P energy: -78.178 tors. eta vs tors. theta energy: -130.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1679.681569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.681569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.681569 (E_RNA) where: Base-Base interactions energy: -1126.468 where: short stacking energy: -464.813 Base-Backbone interact. energy: -2.644 local terms energy: -550.569873 where: bonds (distance) C4'-P energy: -129.290 bonds (distance) P-C4' energy: -98.824 flat angles C4'-P-C4' energy: -128.742 flat angles P-C4'-P energy: -84.622 tors. eta vs tors. theta energy: -109.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1408.322736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.322736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.322736 (E_RNA) where: Base-Base interactions energy: -912.607 where: short stacking energy: -411.960 Base-Backbone interact. energy: 2.574 local terms energy: -498.289147 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -122.373 flat angles C4'-P-C4' energy: -112.571 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -88.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1081.667372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.667372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.667372 (E_RNA) where: Base-Base interactions energy: -682.979 where: short stacking energy: -303.079 Base-Backbone interact. energy: -2.757 local terms energy: -395.931043 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -97.470 flat angles P-C4'-P energy: -67.316 tors. eta vs tors. theta energy: -33.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2435.908380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.908380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.908380 (E_RNA) where: Base-Base interactions energy: -1708.098 where: short stacking energy: -743.703 Base-Backbone interact. energy: -0.203 local terms energy: -727.607090 where: bonds (distance) C4'-P energy: -126.313 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -152.570 flat angles P-C4'-P energy: -99.430 tors. eta vs tors. theta energy: -218.112 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: 19 Temperature: 0.950000 Total energy: -2406.837805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.837805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.837805 (E_RNA) where: Base-Base interactions energy: -1686.946 where: short stacking energy: -701.443 Base-Backbone interact. energy: -0.716 local terms energy: -719.176149 where: bonds (distance) C4'-P energy: -138.092 bonds (distance) P-C4' energy: -119.557 flat angles C4'-P-C4' energy: -152.931 flat angles P-C4'-P energy: -104.562 tors. eta vs tors. theta energy: -204.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -2353.482200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.482200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.482200 (E_RNA) where: Base-Base interactions energy: -1662.481 where: short stacking energy: -686.393 Base-Backbone interact. energy: -1.516 local terms energy: -689.485444 where: bonds (distance) C4'-P energy: -124.785 bonds (distance) P-C4' energy: -119.857 flat angles C4'-P-C4' energy: -147.105 flat angles P-C4'-P energy: -84.272 tors. eta vs tors. theta energy: -213.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2143.944974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.944974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.944974 (E_RNA) where: Base-Base interactions energy: -1468.781 where: short stacking energy: -629.378 Base-Backbone interact. energy: -2.849 local terms energy: -672.314979 where: bonds (distance) C4'-P energy: -129.393 bonds (distance) P-C4' energy: -130.003 flat angles C4'-P-C4' energy: -143.107 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -189.941 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: 19 Temperature: 1.100000 Total energy: -2099.121081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.121081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.121081 (E_RNA) where: Base-Base interactions energy: -1442.523 where: short stacking energy: -611.415 Base-Backbone interact. energy: -1.406 local terms energy: -655.192057 where: bonds (distance) C4'-P energy: -118.050 bonds (distance) P-C4' energy: -131.599 flat angles C4'-P-C4' energy: -136.445 flat angles P-C4'-P energy: -89.051 tors. eta vs tors. theta energy: -180.047 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: 19 Temperature: 1.150000 Total energy: -1993.219347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.219347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.219347 (E_RNA) where: Base-Base interactions energy: -1360.753 where: short stacking energy: -582.662 Base-Backbone interact. energy: 4.774 local terms energy: -637.239930 where: bonds (distance) C4'-P energy: -116.118 bonds (distance) P-C4' energy: -120.043 flat angles C4'-P-C4' energy: -138.222 flat angles P-C4'-P energy: -87.068 tors. eta vs tors. theta energy: -175.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1767.086127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.086127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.086127 (E_RNA) where: Base-Base interactions energy: -1155.772 where: short stacking energy: -516.852 Base-Backbone interact. energy: -3.627 local terms energy: -607.687003 where: bonds (distance) C4'-P energy: -119.961 bonds (distance) P-C4' energy: -112.040 flat angles C4'-P-C4' energy: -136.037 flat angles P-C4'-P energy: -85.762 tors. eta vs tors. theta energy: -153.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1613.356035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.356035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.356035 (E_RNA) where: Base-Base interactions energy: -1110.482 where: short stacking energy: -456.385 Base-Backbone interact. energy: 0.817 local terms energy: -503.690896 where: bonds (distance) C4'-P energy: -101.680 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -127.253 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -95.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1373.893386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.893386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.893386 (E_RNA) where: Base-Base interactions energy: -881.308 where: short stacking energy: -405.501 Base-Backbone interact. energy: -3.708 local terms energy: -488.877304 where: bonds (distance) C4'-P energy: -95.373 bonds (distance) P-C4' energy: -122.214 flat angles C4'-P-C4' energy: -111.020 flat angles P-C4'-P energy: -75.576 tors. eta vs tors. theta energy: -84.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1026.309229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.309229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.309229 (E_RNA) where: Base-Base interactions energy: -617.957 where: short stacking energy: -294.565 Base-Backbone interact. energy: 7.035 local terms energy: -415.387487 where: bonds (distance) C4'-P energy: -89.659 bonds (distance) P-C4' energy: -111.157 flat angles C4'-P-C4' energy: -102.908 flat angles P-C4'-P energy: -77.952 tors. eta vs tors. theta energy: -33.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2419.157178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.157178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.157178 (E_RNA) where: Base-Base interactions energy: -1683.321 where: short stacking energy: -705.725 Base-Backbone interact. energy: 1.352 local terms energy: -737.188516 where: bonds (distance) C4'-P energy: -144.858 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -152.048 flat angles P-C4'-P energy: -105.072 tors. eta vs tors. theta energy: -207.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2368.279810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.279810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.279810 (E_RNA) where: Base-Base interactions energy: -1663.236 where: short stacking energy: -682.596 Base-Backbone interact. energy: -1.806 local terms energy: -703.237467 where: bonds (distance) C4'-P energy: -128.953 bonds (distance) P-C4' energy: -128.248 flat angles C4'-P-C4' energy: -152.110 flat angles P-C4'-P energy: -96.295 tors. eta vs tors. theta energy: -197.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2358.113861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.113861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.113861 (E_RNA) where: Base-Base interactions energy: -1682.221 where: short stacking energy: -681.102 Base-Backbone interact. energy: 0.506 local terms energy: -676.399122 where: bonds (distance) C4'-P energy: -123.818 bonds (distance) P-C4' energy: -113.958 flat angles C4'-P-C4' energy: -145.612 flat angles P-C4'-P energy: -95.654 tors. eta vs tors. theta energy: -197.357 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: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2123.682555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.682555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.682555 (E_RNA) where: Base-Base interactions energy: -1468.860 where: short stacking energy: -622.116 Base-Backbone interact. energy: -1.216 local terms energy: -653.606509 where: bonds (distance) C4'-P energy: -105.360 bonds (distance) P-C4' energy: -125.724 flat angles C4'-P-C4' energy: -147.842 flat angles P-C4'-P energy: -92.111 tors. eta vs tors. theta energy: -182.570 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: 20 Temperature: 1.100000 Total energy: -2111.898074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.898074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.898074 (E_RNA) where: Base-Base interactions energy: -1450.387 where: short stacking energy: -612.692 Base-Backbone interact. energy: -4.438 local terms energy: -657.072819 where: bonds (distance) C4'-P energy: -120.136 bonds (distance) P-C4' energy: -125.748 flat angles C4'-P-C4' energy: -136.954 flat angles P-C4'-P energy: -94.676 tors. eta vs tors. theta energy: -179.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -2095.293199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.293199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.293199 (E_RNA) where: Base-Base interactions energy: -1470.444 where: short stacking energy: -603.393 Base-Backbone interact. energy: 3.295 local terms energy: -628.143978 where: bonds (distance) C4'-P energy: -101.658 bonds (distance) P-C4' energy: -123.566 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -98.739 tors. eta vs tors. theta energy: -175.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1794.520979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.520979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.520979 (E_RNA) where: Base-Base interactions energy: -1209.091 where: short stacking energy: -547.770 Base-Backbone interact. energy: -0.345 local terms energy: -585.085516 where: bonds (distance) C4'-P energy: -117.919 bonds (distance) P-C4' energy: -109.162 flat angles C4'-P-C4' energy: -128.175 flat angles P-C4'-P energy: -83.104 tors. eta vs tors. theta energy: -146.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1632.611657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.611657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.611657 (E_RNA) where: Base-Base interactions energy: -1118.589 where: short stacking energy: -465.647 Base-Backbone interact. energy: 1.383 local terms energy: -515.404892 where: bonds (distance) C4'-P energy: -98.389 bonds (distance) P-C4' energy: -107.867 flat angles C4'-P-C4' energy: -117.331 flat angles P-C4'-P energy: -73.757 tors. eta vs tors. theta energy: -118.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1475.229090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.229090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.229090 (E_RNA) where: Base-Base interactions energy: -983.047 where: short stacking energy: -429.407 Base-Backbone interact. energy: -1.596 local terms energy: -490.585729 where: bonds (distance) C4'-P energy: -97.494 bonds (distance) P-C4' energy: -85.603 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -76.910 tors. eta vs tors. theta energy: -103.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1012.320147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.320147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.320147 (E_RNA) where: Base-Base interactions energy: -590.104 where: short stacking energy: -268.024 Base-Backbone interact. energy: 3.099 local terms energy: -425.315715 where: bonds (distance) C4'-P energy: -115.658 bonds (distance) P-C4' energy: -96.491 flat angles C4'-P-C4' energy: -95.991 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -33.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2443.177675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.177675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.177675 (E_RNA) where: Base-Base interactions energy: -1710.780 where: short stacking energy: -728.388 Base-Backbone interact. energy: -1.941 local terms energy: -730.456938 where: bonds (distance) C4'-P energy: -118.959 bonds (distance) P-C4' energy: -155.223 flat angles C4'-P-C4' energy: -146.487 flat angles P-C4'-P energy: -99.909 tors. eta vs tors. theta energy: -209.879 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: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2394.021721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.021721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.021721 (E_RNA) where: Base-Base interactions energy: -1664.564 where: short stacking energy: -688.847 Base-Backbone interact. energy: -2.551 local terms energy: -726.905995 where: bonds (distance) C4'-P energy: -128.710 bonds (distance) P-C4' energy: -130.712 flat angles C4'-P-C4' energy: -166.701 flat angles P-C4'-P energy: -106.531 tors. eta vs tors. theta energy: -194.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2365.803106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.803106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.803106 (E_RNA) where: Base-Base interactions energy: -1646.622 where: short stacking energy: -699.938 Base-Backbone interact. energy: -2.003 local terms energy: -717.178156 where: bonds (distance) C4'-P energy: -126.760 bonds (distance) P-C4' energy: -125.728 flat angles C4'-P-C4' energy: -140.622 flat angles P-C4'-P energy: -111.374 tors. eta vs tors. theta energy: -212.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2129.843710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.843710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.843710 (E_RNA) where: Base-Base interactions energy: -1498.999 where: short stacking energy: -626.146 Base-Backbone interact. energy: -1.736 local terms energy: -629.108720 where: bonds (distance) C4'-P energy: -116.550 bonds (distance) P-C4' energy: -107.262 flat angles C4'-P-C4' energy: -137.639 flat angles P-C4'-P energy: -78.009 tors. eta vs tors. theta energy: -189.649 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: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -2119.838993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.838993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.838993 (E_RNA) where: Base-Base interactions energy: -1469.868 where: short stacking energy: -642.822 Base-Backbone interact. energy: -0.124 local terms energy: -649.846753 where: bonds (distance) C4'-P energy: -117.358 bonds (distance) P-C4' energy: -113.423 flat angles C4'-P-C4' energy: -140.399 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -197.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -2069.581014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.581014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.581014 (E_RNA) where: Base-Base interactions energy: -1448.309 where: short stacking energy: -592.502 Base-Backbone interact. energy: -2.792 local terms energy: -618.480034 where: bonds (distance) C4'-P energy: -113.393 bonds (distance) P-C4' energy: -117.912 flat angles C4'-P-C4' energy: -128.357 flat angles P-C4'-P energy: -87.211 tors. eta vs tors. theta energy: -171.608 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: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1782.345619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.345619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.345619 (E_RNA) where: Base-Base interactions energy: -1214.484 where: short stacking energy: -522.016 Base-Backbone interact. energy: 0.855 local terms energy: -568.716773 where: bonds (distance) C4'-P energy: -106.889 bonds (distance) P-C4' energy: -128.139 flat angles C4'-P-C4' energy: -120.630 flat angles P-C4'-P energy: -84.232 tors. eta vs tors. theta energy: -128.826 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: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1609.426182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.426182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.426182 (E_RNA) where: Base-Base interactions energy: -1108.812 where: short stacking energy: -471.448 Base-Backbone interact. energy: 1.520 local terms energy: -502.134364 where: bonds (distance) C4'-P energy: -98.846 bonds (distance) P-C4' energy: -104.317 flat angles C4'-P-C4' energy: -132.653 flat angles P-C4'-P energy: -66.563 tors. eta vs tors. theta energy: -99.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1503.912030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.912030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.912030 (E_RNA) where: Base-Base interactions energy: -999.356 where: short stacking energy: -462.187 Base-Backbone interact. energy: -3.821 local terms energy: -500.734871 where: bonds (distance) C4'-P energy: -95.966 bonds (distance) P-C4' energy: -114.246 flat angles C4'-P-C4' energy: -96.156 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -115.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1059.005510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.005510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.005510 (E_RNA) where: Base-Base interactions energy: -625.677 where: short stacking energy: -280.537 Base-Backbone interact. energy: -5.466 local terms energy: -427.862527 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -120.014 flat angles C4'-P-C4' energy: -103.834 flat angles P-C4'-P energy: -65.897 tors. eta vs tors. theta energy: -29.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2412.588854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.588854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.588854 (E_RNA) where: Base-Base interactions energy: -1683.372 where: short stacking energy: -741.390 Base-Backbone interact. energy: -1.018 local terms energy: -728.199330 where: bonds (distance) C4'-P energy: -125.400 bonds (distance) P-C4' energy: -127.759 flat angles C4'-P-C4' energy: -142.847 flat angles P-C4'-P energy: -117.408 tors. eta vs tors. theta energy: -214.785 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: 22 Temperature: 0.950000 Total energy: -2373.320714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.320714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.320714 (E_RNA) where: Base-Base interactions energy: -1657.291 where: short stacking energy: -704.065 Base-Backbone interact. energy: -3.747 local terms energy: -712.282983 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -129.854 flat angles C4'-P-C4' energy: -155.895 flat angles P-C4'-P energy: -104.242 tors. eta vs tors. theta energy: -203.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2343.304308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.304308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.304308 (E_RNA) where: Base-Base interactions energy: -1625.450 where: short stacking energy: -718.029 Base-Backbone interact. energy: -0.776 local terms energy: -717.077535 where: bonds (distance) C4'-P energy: -127.926 bonds (distance) P-C4' energy: -131.375 flat angles C4'-P-C4' energy: -150.596 flat angles P-C4'-P energy: -98.242 tors. eta vs tors. theta energy: -208.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2118.926614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.926614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.926614 (E_RNA) where: Base-Base interactions energy: -1470.443 where: short stacking energy: -600.479 Base-Backbone interact. energy: -2.724 local terms energy: -645.759147 where: bonds (distance) C4'-P energy: -115.551 bonds (distance) P-C4' energy: -129.089 flat angles C4'-P-C4' energy: -134.720 flat angles P-C4'-P energy: -84.642 tors. eta vs tors. theta energy: -181.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -2160.867370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.867370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.867370 (E_RNA) where: Base-Base interactions energy: -1511.907 where: short stacking energy: -664.890 Base-Backbone interact. energy: -2.991 local terms energy: -645.969497 where: bonds (distance) C4'-P energy: -110.739 bonds (distance) P-C4' energy: -120.690 flat angles C4'-P-C4' energy: -136.451 flat angles P-C4'-P energy: -85.927 tors. eta vs tors. theta energy: -192.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -2112.294675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.294675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.294675 (E_RNA) where: Base-Base interactions energy: -1482.542 where: short stacking energy: -572.437 Base-Backbone interact. energy: -3.537 local terms energy: -626.215857 where: bonds (distance) C4'-P energy: -133.571 bonds (distance) P-C4' energy: -108.287 flat angles C4'-P-C4' energy: -120.158 flat angles P-C4'-P energy: -96.151 tors. eta vs tors. theta energy: -168.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1754.599428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.599428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.599428 (E_RNA) where: Base-Base interactions energy: -1171.347 where: short stacking energy: -513.253 Base-Backbone interact. energy: -3.111 local terms energy: -580.141300 where: bonds (distance) C4'-P energy: -101.930 bonds (distance) P-C4' energy: -122.461 flat angles C4'-P-C4' energy: -130.909 flat angles P-C4'-P energy: -81.134 tors. eta vs tors. theta energy: -143.708 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: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1628.649470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.649470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.649470 (E_RNA) where: Base-Base interactions energy: -1073.986 where: short stacking energy: -461.778 Base-Backbone interact. energy: -1.519 local terms energy: -553.145123 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -129.181 flat angles C4'-P-C4' energy: -128.108 flat angles P-C4'-P energy: -84.383 tors. eta vs tors. theta energy: -111.928 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: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1457.333663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.333663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.333663 (E_RNA) where: Base-Base interactions energy: -956.115 where: short stacking energy: -419.441 Base-Backbone interact. energy: -1.203 local terms energy: -500.015494 where: bonds (distance) C4'-P energy: -90.884 bonds (distance) P-C4' energy: -116.751 flat angles C4'-P-C4' energy: -119.726 flat angles P-C4'-P energy: -63.060 tors. eta vs tors. theta energy: -109.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1020.156684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.156684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.156684 (E_RNA) where: Base-Base interactions energy: -625.426 where: short stacking energy: -283.763 Base-Backbone interact. energy: -0.052 local terms energy: -394.679532 where: bonds (distance) C4'-P energy: -110.782 bonds (distance) P-C4' energy: -103.605 flat angles C4'-P-C4' energy: -112.698 flat angles P-C4'-P energy: -36.251 tors. eta vs tors. theta energy: -31.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2439.227277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.227277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.227277 (E_RNA) where: Base-Base interactions energy: -1699.593 where: short stacking energy: -729.821 Base-Backbone interact. energy: -2.094 local terms energy: -737.540888 where: bonds (distance) C4'-P energy: -127.427 bonds (distance) P-C4' energy: -132.807 flat angles C4'-P-C4' energy: -154.472 flat angles P-C4'-P energy: -113.321 tors. eta vs tors. theta energy: -209.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2371.356939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.356939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.356939 (E_RNA) where: Base-Base interactions energy: -1646.330 where: short stacking energy: -710.211 Base-Backbone interact. energy: 0.263 local terms energy: -725.290179 where: bonds (distance) C4'-P energy: -123.735 bonds (distance) P-C4' energy: -135.814 flat angles C4'-P-C4' energy: -154.982 flat angles P-C4'-P energy: -105.929 tors. eta vs tors. theta energy: -204.830 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: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2312.806902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.806902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.806902 (E_RNA) where: Base-Base interactions energy: -1604.866 where: short stacking energy: -692.244 Base-Backbone interact. energy: -2.930 local terms energy: -705.010279 where: bonds (distance) C4'-P energy: -133.754 bonds (distance) P-C4' energy: -131.921 flat angles C4'-P-C4' energy: -142.933 flat angles P-C4'-P energy: -85.461 tors. eta vs tors. theta energy: -210.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2183.127473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.127473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.127473 (E_RNA) where: Base-Base interactions energy: -1517.426 where: short stacking energy: -642.754 Base-Backbone interact. energy: -1.671 local terms energy: -664.030733 where: bonds (distance) C4'-P energy: -113.766 bonds (distance) P-C4' energy: -129.690 flat angles C4'-P-C4' energy: -147.598 flat angles P-C4'-P energy: -88.790 tors. eta vs tors. theta energy: -184.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2074.908673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.908673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.908673 (E_RNA) where: Base-Base interactions energy: -1446.491 where: short stacking energy: -606.241 Base-Backbone interact. energy: -2.100 local terms energy: -626.318377 where: bonds (distance) C4'-P energy: -116.407 bonds (distance) P-C4' energy: -96.380 flat angles C4'-P-C4' energy: -149.092 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -178.360 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: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -2134.337333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.337333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.337333 (E_RNA) where: Base-Base interactions energy: -1504.927 where: short stacking energy: -597.045 Base-Backbone interact. energy: -0.236 local terms energy: -629.174932 where: bonds (distance) C4'-P energy: -112.120 bonds (distance) P-C4' energy: -117.977 flat angles C4'-P-C4' energy: -126.023 flat angles P-C4'-P energy: -85.593 tors. eta vs tors. theta energy: -187.462 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: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1722.897715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.897715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.897715 (E_RNA) where: Base-Base interactions energy: -1148.773 where: short stacking energy: -509.602 Base-Backbone interact. energy: -2.900 local terms energy: -571.224849 where: bonds (distance) C4'-P energy: -107.059 bonds (distance) P-C4' energy: -117.248 flat angles C4'-P-C4' energy: -135.908 flat angles P-C4'-P energy: -84.830 tors. eta vs tors. theta energy: -126.180 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: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1723.867360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.867360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.867360 (E_RNA) where: Base-Base interactions energy: -1201.385 where: short stacking energy: -476.610 Base-Backbone interact. energy: -1.349 local terms energy: -521.133034 where: bonds (distance) C4'-P energy: -98.402 bonds (distance) P-C4' energy: -95.411 flat angles C4'-P-C4' energy: -134.135 flat angles P-C4'-P energy: -70.449 tors. eta vs tors. theta energy: -122.735 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: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1446.475408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.475408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.475408 (E_RNA) where: Base-Base interactions energy: -925.868 where: short stacking energy: -408.242 Base-Backbone interact. energy: -2.576 local terms energy: -518.031185 where: bonds (distance) C4'-P energy: -109.386 bonds (distance) P-C4' energy: -102.628 flat angles C4'-P-C4' energy: -118.445 flat angles P-C4'-P energy: -75.946 tors. eta vs tors. theta energy: -111.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -989.589771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.589771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.589771 (E_RNA) where: Base-Base interactions energy: -596.617 where: short stacking energy: -307.082 Base-Backbone interact. energy: -3.526 local terms energy: -389.446814 where: bonds (distance) C4'-P energy: -89.709 bonds (distance) P-C4' energy: -104.530 flat angles C4'-P-C4' energy: -89.052 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -46.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2442.821877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.821877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.821877 (E_RNA) where: Base-Base interactions energy: -1698.494 where: short stacking energy: -725.087 Base-Backbone interact. energy: -2.475 local terms energy: -741.852794 where: bonds (distance) C4'-P energy: -130.797 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -157.435 flat angles P-C4'-P energy: -107.467 tors. eta vs tors. theta energy: -222.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2396.943615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.943615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.943615 (E_RNA) where: Base-Base interactions energy: -1668.016 where: short stacking energy: -732.766 Base-Backbone interact. energy: -3.591 local terms energy: -725.336541 where: bonds (distance) C4'-P energy: -123.872 bonds (distance) P-C4' energy: -131.264 flat angles C4'-P-C4' energy: -160.448 flat angles P-C4'-P energy: -102.148 tors. eta vs tors. theta energy: -207.604 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: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2359.426081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.426081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.426081 (E_RNA) where: Base-Base interactions energy: -1649.865 where: short stacking energy: -717.397 Base-Backbone interact. energy: -2.844 local terms energy: -706.717406 where: bonds (distance) C4'-P energy: -122.737 bonds (distance) P-C4' energy: -130.242 flat angles C4'-P-C4' energy: -148.686 flat angles P-C4'-P energy: -95.672 tors. eta vs tors. theta energy: -209.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2253.349027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.349027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.349027 (E_RNA) where: Base-Base interactions energy: -1563.949 where: short stacking energy: -679.295 Base-Backbone interact. energy: -1.837 local terms energy: -687.562800 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -114.645 flat angles C4'-P-C4' energy: -145.852 flat angles P-C4'-P energy: -98.835 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: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2184.231854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.231854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.231854 (E_RNA) where: Base-Base interactions energy: -1540.619 where: short stacking energy: -643.466 Base-Backbone interact. energy: -2.938 local terms energy: -640.674812 where: bonds (distance) C4'-P energy: -113.596 bonds (distance) P-C4' energy: -127.302 flat angles C4'-P-C4' energy: -127.210 flat angles P-C4'-P energy: -84.127 tors. eta vs tors. theta energy: -188.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -2065.455558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.455558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.455558 (E_RNA) where: Base-Base interactions energy: -1405.165 where: short stacking energy: -606.455 Base-Backbone interact. energy: 1.850 local terms energy: -662.139915 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -119.352 flat angles C4'-P-C4' energy: -144.759 flat angles P-C4'-P energy: -93.455 tors. eta vs tors. theta energy: -187.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1883.992950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.992950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.992950 (E_RNA) where: Base-Base interactions energy: -1290.353 where: short stacking energy: -566.413 Base-Backbone interact. energy: 0.242 local terms energy: -593.881985 where: bonds (distance) C4'-P energy: -113.769 bonds (distance) P-C4' energy: -119.419 flat angles C4'-P-C4' energy: -131.052 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -152.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1696.825899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.825899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.825899 (E_RNA) where: Base-Base interactions energy: -1158.039 where: short stacking energy: -515.746 Base-Backbone interact. energy: -2.361 local terms energy: -536.426044 where: bonds (distance) C4'-P energy: -108.375 bonds (distance) P-C4' energy: -91.697 flat angles C4'-P-C4' energy: -118.210 flat angles P-C4'-P energy: -85.580 tors. eta vs tors. theta energy: -132.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1458.397035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.397035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.397035 (E_RNA) where: Base-Base interactions energy: -971.523 where: short stacking energy: -426.540 Base-Backbone interact. energy: -0.797 local terms energy: -486.076789 where: bonds (distance) C4'-P energy: -105.554 bonds (distance) P-C4' energy: -105.558 flat angles C4'-P-C4' energy: -108.062 flat angles P-C4'-P energy: -66.026 tors. eta vs tors. theta energy: -100.876 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: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -967.847896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.847896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.847896 (E_RNA) where: Base-Base interactions energy: -573.153 where: short stacking energy: -283.652 Base-Backbone interact. energy: 3.675 local terms energy: -398.370661 where: bonds (distance) C4'-P energy: -97.860 bonds (distance) P-C4' energy: -110.038 flat angles C4'-P-C4' energy: -94.595 flat angles P-C4'-P energy: -60.120 tors. eta vs tors. theta energy: -35.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2434.895078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.895078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.895078 (E_RNA) where: Base-Base interactions energy: -1713.392 where: short stacking energy: -737.181 Base-Backbone interact. energy: -3.775 local terms energy: -717.728306 where: bonds (distance) C4'-P energy: -128.703 bonds (distance) P-C4' energy: -127.546 flat angles C4'-P-C4' energy: -145.672 flat angles P-C4'-P energy: -104.075 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: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2403.297929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.297929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.297929 (E_RNA) where: Base-Base interactions energy: -1662.585 where: short stacking energy: -695.545 Base-Backbone interact. energy: -4.024 local terms energy: -736.689717 where: bonds (distance) C4'-P energy: -136.320 bonds (distance) P-C4' energy: -136.108 flat angles C4'-P-C4' energy: -147.463 flat angles P-C4'-P energy: -105.320 tors. eta vs tors. theta energy: -211.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2364.412275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.412275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.412275 (E_RNA) where: Base-Base interactions energy: -1667.319 where: short stacking energy: -727.502 Base-Backbone interact. energy: 0.753 local terms energy: -697.846283 where: bonds (distance) C4'-P energy: -116.055 bonds (distance) P-C4' energy: -125.060 flat angles C4'-P-C4' energy: -149.237 flat angles P-C4'-P energy: -93.161 tors. eta vs tors. theta energy: -214.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2227.637779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.637779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.637779 (E_RNA) where: Base-Base interactions energy: -1552.512 where: short stacking energy: -688.298 Base-Backbone interact. energy: -0.360 local terms energy: -674.765852 where: bonds (distance) C4'-P energy: -101.672 bonds (distance) P-C4' energy: -121.460 flat angles C4'-P-C4' energy: -152.206 flat angles P-C4'-P energy: -97.278 tors. eta vs tors. theta energy: -202.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2230.229045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.229045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.229045 (E_RNA) where: Base-Base interactions energy: -1571.613 where: short stacking energy: -625.518 Base-Backbone interact. energy: 1.592 local terms energy: -660.208613 where: bonds (distance) C4'-P energy: -110.586 bonds (distance) P-C4' energy: -133.818 flat angles C4'-P-C4' energy: -136.113 flat angles P-C4'-P energy: -90.882 tors. eta vs tors. theta energy: -188.809 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: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -2061.538085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.538085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.538085 (E_RNA) where: Base-Base interactions energy: -1447.375 where: short stacking energy: -600.995 Base-Backbone interact. energy: -0.614 local terms energy: -613.549548 where: bonds (distance) C4'-P energy: -93.358 bonds (distance) P-C4' energy: -112.266 flat angles C4'-P-C4' energy: -140.755 flat angles P-C4'-P energy: -84.659 tors. eta vs tors. theta energy: -182.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1882.970330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.970330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.970330 (E_RNA) where: Base-Base interactions energy: -1301.844 where: short stacking energy: -577.026 Base-Backbone interact. energy: -3.555 local terms energy: -577.571189 where: bonds (distance) C4'-P energy: -105.702 bonds (distance) P-C4' energy: -115.435 flat angles C4'-P-C4' energy: -122.979 flat angles P-C4'-P energy: -80.506 tors. eta vs tors. theta energy: -152.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1628.400844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.400844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.400844 (E_RNA) where: Base-Base interactions energy: -1103.886 where: short stacking energy: -468.033 Base-Backbone interact. energy: -2.303 local terms energy: -522.211956 where: bonds (distance) C4'-P energy: -108.239 bonds (distance) P-C4' energy: -118.364 flat angles C4'-P-C4' energy: -112.768 flat angles P-C4'-P energy: -78.676 tors. eta vs tors. theta energy: -104.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1434.215067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.215067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.215067 (E_RNA) where: Base-Base interactions energy: -964.440 where: short stacking energy: -429.245 Base-Backbone interact. energy: 5.807 local terms energy: -475.582177 where: bonds (distance) C4'-P energy: -83.171 bonds (distance) P-C4' energy: -119.688 flat angles C4'-P-C4' energy: -102.737 flat angles P-C4'-P energy: -79.232 tors. eta vs tors. theta energy: -90.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -971.616709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.616709 (E_RNA) where: Base-Base interactions energy: -599.625 where: short stacking energy: -273.880 Base-Backbone interact. energy: -3.830 local terms energy: -368.161786 where: bonds (distance) C4'-P energy: -104.587 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -91.018 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -24.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2462.201118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.201118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.201118 (E_RNA) where: Base-Base interactions energy: -1693.669 where: short stacking energy: -713.440 Base-Backbone interact. energy: -5.385 local terms energy: -763.146606 where: bonds (distance) C4'-P energy: -138.471 bonds (distance) P-C4' energy: -134.005 flat angles C4'-P-C4' energy: -159.901 flat angles P-C4'-P energy: -114.530 tors. eta vs tors. theta energy: -216.239 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: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2405.376723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.376723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.376723 (E_RNA) where: Base-Base interactions energy: -1678.121 where: short stacking energy: -698.280 Base-Backbone interact. energy: -2.131 local terms energy: -725.125020 where: bonds (distance) C4'-P energy: -137.209 bonds (distance) P-C4' energy: -127.636 flat angles C4'-P-C4' energy: -156.157 flat angles P-C4'-P energy: -108.805 tors. eta vs tors. theta energy: -195.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2350.802993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.802993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.802993 (E_RNA) where: Base-Base interactions energy: -1645.752 where: short stacking energy: -702.635 Base-Backbone interact. energy: -0.682 local terms energy: -704.369784 where: bonds (distance) C4'-P energy: -137.576 bonds (distance) P-C4' energy: -97.943 flat angles C4'-P-C4' energy: -153.799 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: -221.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2281.650827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.650827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.650827 (E_RNA) where: Base-Base interactions energy: -1613.809 where: short stacking energy: -677.568 Base-Backbone interact. energy: -0.425 local terms energy: -667.416590 where: bonds (distance) C4'-P energy: -116.053 bonds (distance) P-C4' energy: -117.550 flat angles C4'-P-C4' energy: -148.824 flat angles P-C4'-P energy: -92.457 tors. eta vs tors. theta energy: -192.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2272.745929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.745929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.745929 (E_RNA) where: Base-Base interactions energy: -1591.278 where: short stacking energy: -650.330 Base-Backbone interact. energy: -2.211 local terms energy: -679.256376 where: bonds (distance) C4'-P energy: -131.017 bonds (distance) P-C4' energy: -114.785 flat angles C4'-P-C4' energy: -146.201 flat angles P-C4'-P energy: -93.269 tors. eta vs tors. theta energy: -193.985 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: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -2031.077932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.077932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.077932 (E_RNA) where: Base-Base interactions energy: -1448.302 where: short stacking energy: -583.194 Base-Backbone interact. energy: 0.397 local terms energy: -583.172719 where: bonds (distance) C4'-P energy: -115.201 bonds (distance) P-C4' energy: -95.188 flat angles C4'-P-C4' energy: -126.577 flat angles P-C4'-P energy: -75.970 tors. eta vs tors. theta energy: -170.237 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: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1865.567315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.567315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.567315 (E_RNA) where: Base-Base interactions energy: -1297.050 where: short stacking energy: -562.767 Base-Backbone interact. energy: 3.171 local terms energy: -571.688676 where: bonds (distance) C4'-P energy: -96.159 bonds (distance) P-C4' energy: -118.553 flat angles C4'-P-C4' energy: -128.177 flat angles P-C4'-P energy: -70.545 tors. eta vs tors. theta energy: -158.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1660.272420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.272420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.272420 (E_RNA) where: Base-Base interactions energy: -1121.513 where: short stacking energy: -475.055 Base-Backbone interact. energy: -1.158 local terms energy: -537.600511 where: bonds (distance) C4'-P energy: -108.212 bonds (distance) P-C4' energy: -107.253 flat angles C4'-P-C4' energy: -119.117 flat angles P-C4'-P energy: -72.481 tors. eta vs tors. theta energy: -130.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1468.745303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.745303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.745303 (E_RNA) where: Base-Base interactions energy: -974.045 where: short stacking energy: -421.382 Base-Backbone interact. energy: -1.805 local terms energy: -492.895723 where: bonds (distance) C4'-P energy: -115.993 bonds (distance) P-C4' energy: -108.183 flat angles C4'-P-C4' energy: -106.818 flat angles P-C4'-P energy: -55.511 tors. eta vs tors. theta energy: -106.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -985.639387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.639387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.639387 (E_RNA) where: Base-Base interactions energy: -542.895 where: short stacking energy: -286.383 Base-Backbone interact. energy: -2.664 local terms energy: -440.080833 where: bonds (distance) C4'-P energy: -120.813 bonds (distance) P-C4' energy: -112.183 flat angles C4'-P-C4' energy: -118.926 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -39.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2439.537328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.537328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.537328 (E_RNA) where: Base-Base interactions energy: -1702.079 where: short stacking energy: -716.067 Base-Backbone interact. energy: -0.960 local terms energy: -736.497837 where: bonds (distance) C4'-P energy: -121.810 bonds (distance) P-C4' energy: -133.371 flat angles C4'-P-C4' energy: -160.520 flat angles P-C4'-P energy: -103.917 tors. eta vs tors. theta energy: -216.880 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: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2393.472682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.472682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.472682 (E_RNA) where: Base-Base interactions energy: -1674.346 where: short stacking energy: -713.502 Base-Backbone interact. energy: -1.368 local terms energy: -717.758377 where: bonds (distance) C4'-P energy: -128.781 bonds (distance) P-C4' energy: -132.924 flat angles C4'-P-C4' energy: -148.547 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -202.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2329.608949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.608949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.608949 (E_RNA) where: Base-Base interactions energy: -1617.594 where: short stacking energy: -689.721 Base-Backbone interact. energy: -3.127 local terms energy: -708.888748 where: bonds (distance) C4'-P energy: -120.898 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -152.362 flat angles P-C4'-P energy: -101.283 tors. eta vs tors. theta energy: -217.426 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: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2317.623604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.623604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.623604 (E_RNA) where: Base-Base interactions energy: -1654.200 where: short stacking energy: -655.485 Base-Backbone interact. energy: 2.602 local terms energy: -666.026218 where: bonds (distance) C4'-P energy: -119.506 bonds (distance) P-C4' energy: -117.581 flat angles C4'-P-C4' energy: -140.042 flat angles P-C4'-P energy: -97.758 tors. eta vs tors. theta energy: -191.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2236.178847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.178847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.178847 (E_RNA) where: Base-Base interactions energy: -1583.146 where: short stacking energy: -680.301 Base-Backbone interact. energy: 0.868 local terms energy: -653.901060 where: bonds (distance) C4'-P energy: -127.860 bonds (distance) P-C4' energy: -106.782 flat angles C4'-P-C4' energy: -143.789 flat angles P-C4'-P energy: -90.381 tors. eta vs tors. theta energy: -185.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -2007.007638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.007638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.007638 (E_RNA) where: Base-Base interactions energy: -1399.966 where: short stacking energy: -571.770 Base-Backbone interact. energy: 0.323 local terms energy: -607.364405 where: bonds (distance) C4'-P energy: -115.984 bonds (distance) P-C4' energy: -114.656 flat angles C4'-P-C4' energy: -126.857 flat angles P-C4'-P energy: -87.333 tors. eta vs tors. theta energy: -162.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1953.855218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.855218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.855218 (E_RNA) where: Base-Base interactions energy: -1340.797 where: short stacking energy: -570.509 Base-Backbone interact. energy: -4.420 local terms energy: -608.638255 where: bonds (distance) C4'-P energy: -111.413 bonds (distance) P-C4' energy: -118.906 flat angles C4'-P-C4' energy: -127.401 flat angles P-C4'-P energy: -102.742 tors. eta vs tors. theta energy: -148.177 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: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1618.513876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.513876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.513876 (E_RNA) where: Base-Base interactions energy: -1072.028 where: short stacking energy: -454.364 Base-Backbone interact. energy: 0.188 local terms energy: -546.673667 where: bonds (distance) C4'-P energy: -120.779 bonds (distance) P-C4' energy: -113.670 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -82.736 tors. eta vs tors. theta energy: -107.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1407.750102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.750102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.750102 (E_RNA) where: Base-Base interactions energy: -946.869 where: short stacking energy: -415.262 Base-Backbone interact. energy: 5.402 local terms energy: -466.282913 where: bonds (distance) C4'-P energy: -80.209 bonds (distance) P-C4' energy: -104.439 flat angles C4'-P-C4' energy: -104.990 flat angles P-C4'-P energy: -68.464 tors. eta vs tors. theta energy: -108.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -986.302431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.302431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.302431 (E_RNA) where: Base-Base interactions energy: -606.591 where: short stacking energy: -285.413 Base-Backbone interact. energy: 4.943 local terms energy: -384.654436 where: bonds (distance) C4'-P energy: -91.369 bonds (distance) P-C4' energy: -105.586 flat angles C4'-P-C4' energy: -101.935 flat angles P-C4'-P energy: -62.541 tors. eta vs tors. theta energy: -23.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2424.607511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.607511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.607511 (E_RNA) where: Base-Base interactions energy: -1683.448 where: short stacking energy: -735.021 Base-Backbone interact. energy: -2.136 local terms energy: -739.023347 where: bonds (distance) C4'-P energy: -131.873 bonds (distance) P-C4' energy: -140.952 flat angles C4'-P-C4' energy: -154.586 flat angles P-C4'-P energy: -95.175 tors. eta vs tors. theta energy: -216.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2383.947573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.947573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.947573 (E_RNA) where: Base-Base interactions energy: -1639.913 where: short stacking energy: -712.555 Base-Backbone interact. energy: -3.833 local terms energy: -740.201447 where: bonds (distance) C4'-P energy: -136.498 bonds (distance) P-C4' energy: -131.954 flat angles C4'-P-C4' energy: -154.042 flat angles P-C4'-P energy: -110.010 tors. eta vs tors. theta energy: -207.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2386.910130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.910130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.910130 (E_RNA) where: Base-Base interactions energy: -1705.678 where: short stacking energy: -672.199 Base-Backbone interact. energy: 2.769 local terms energy: -684.001231 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -127.711 flat angles C4'-P-C4' energy: -136.526 flat angles P-C4'-P energy: -87.956 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: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2249.079510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.079510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.079510 (E_RNA) where: Base-Base interactions energy: -1534.823 where: short stacking energy: -648.098 Base-Backbone interact. energy: -2.711 local terms energy: -711.545466 where: bonds (distance) C4'-P energy: -124.656 bonds (distance) P-C4' energy: -130.266 flat angles C4'-P-C4' energy: -144.306 flat angles P-C4'-P energy: -101.176 tors. eta vs tors. theta energy: -211.142 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: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -2229.963295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.963295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.963295 (E_RNA) where: Base-Base interactions energy: -1562.900 where: short stacking energy: -668.828 Base-Backbone interact. energy: 0.268 local terms energy: -667.331362 where: bonds (distance) C4'-P energy: -106.715 bonds (distance) P-C4' energy: -118.170 flat angles C4'-P-C4' energy: -145.263 flat angles P-C4'-P energy: -95.559 tors. eta vs tors. theta energy: -201.624 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: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -2007.988426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.988426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.988426 (E_RNA) where: Base-Base interactions energy: -1431.893 where: short stacking energy: -572.022 Base-Backbone interact. energy: -3.614 local terms energy: -572.481234 where: bonds (distance) C4'-P energy: -99.676 bonds (distance) P-C4' energy: -122.396 flat angles C4'-P-C4' energy: -120.863 flat angles P-C4'-P energy: -71.962 tors. eta vs tors. theta energy: -157.585 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: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1916.332272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.332272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.332272 (E_RNA) where: Base-Base interactions energy: -1304.094 where: short stacking energy: -541.822 Base-Backbone interact. energy: -0.270 local terms energy: -611.967847 where: bonds (distance) C4'-P energy: -113.708 bonds (distance) P-C4' energy: -128.493 flat angles C4'-P-C4' energy: -137.837 flat angles P-C4'-P energy: -74.091 tors. eta vs tors. theta energy: -157.839 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: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1670.545430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.545430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.545430 (E_RNA) where: Base-Base interactions energy: -1137.101 where: short stacking energy: -477.383 Base-Backbone interact. energy: -0.115 local terms energy: -533.328820 where: bonds (distance) C4'-P energy: -95.527 bonds (distance) P-C4' energy: -115.676 flat angles C4'-P-C4' energy: -120.688 flat angles P-C4'-P energy: -69.491 tors. eta vs tors. theta energy: -131.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1395.815504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.815504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.815504 (E_RNA) where: Base-Base interactions energy: -891.071 where: short stacking energy: -418.940 Base-Backbone interact. energy: 0.856 local terms energy: -505.600708 where: bonds (distance) C4'-P energy: -103.620 bonds (distance) P-C4' energy: -103.821 flat angles C4'-P-C4' energy: -128.769 flat angles P-C4'-P energy: -69.995 tors. eta vs tors. theta energy: -99.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -982.282708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.282708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.282708 (E_RNA) where: Base-Base interactions energy: -613.666 where: short stacking energy: -273.336 Base-Backbone interact. energy: 5.833 local terms energy: -374.449427 where: bonds (distance) C4'-P energy: -115.077 bonds (distance) P-C4' energy: -103.049 flat angles C4'-P-C4' energy: -88.430 flat angles P-C4'-P energy: -47.587 tors. eta vs tors. theta energy: -20.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2436.296509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.296509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.296509 (E_RNA) where: Base-Base interactions energy: -1694.439 where: short stacking energy: -710.355 Base-Backbone interact. energy: -2.345 local terms energy: -739.512617 where: bonds (distance) C4'-P energy: -124.864 bonds (distance) P-C4' energy: -138.863 flat angles C4'-P-C4' energy: -156.820 flat angles P-C4'-P energy: -104.516 tors. eta vs tors. theta energy: -214.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2395.119363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.119363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.119363 (E_RNA) where: Base-Base interactions energy: -1676.911 where: short stacking energy: -706.372 Base-Backbone interact. energy: 5.301 local terms energy: -723.509523 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -146.392 flat angles C4'-P-C4' energy: -153.843 flat angles P-C4'-P energy: -100.208 tors. eta vs tors. theta energy: -200.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2403.033854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.033854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.033854 (E_RNA) where: Base-Base interactions energy: -1712.079 where: short stacking energy: -695.768 Base-Backbone interact. energy: 0.427 local terms energy: -691.381498 where: bonds (distance) C4'-P energy: -110.273 bonds (distance) P-C4' energy: -120.656 flat angles C4'-P-C4' energy: -156.005 flat angles P-C4'-P energy: -104.382 tors. eta vs tors. theta energy: -200.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2266.284268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.284268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.284268 (E_RNA) where: Base-Base interactions energy: -1597.103 where: short stacking energy: -682.854 Base-Backbone interact. energy: -2.698 local terms energy: -666.483863 where: bonds (distance) C4'-P energy: -117.935 bonds (distance) P-C4' energy: -122.447 flat angles C4'-P-C4' energy: -147.048 flat angles P-C4'-P energy: -89.929 tors. eta vs tors. theta energy: -189.126 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: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -2172.809266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.809266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.809266 (E_RNA) where: Base-Base interactions energy: -1529.328 where: short stacking energy: -639.574 Base-Backbone interact. energy: 0.063 local terms energy: -643.544218 where: bonds (distance) C4'-P energy: -106.728 bonds (distance) P-C4' energy: -111.031 flat angles C4'-P-C4' energy: -137.729 flat angles P-C4'-P energy: -87.915 tors. eta vs tors. theta energy: -200.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -2035.580987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.580987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.580987 (E_RNA) where: Base-Base interactions energy: -1431.956 where: short stacking energy: -591.502 Base-Backbone interact. energy: -3.998 local terms energy: -599.627181 where: bonds (distance) C4'-P energy: -107.679 bonds (distance) P-C4' energy: -106.917 flat angles C4'-P-C4' energy: -131.688 flat angles P-C4'-P energy: -83.983 tors. eta vs tors. theta energy: -169.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1935.987122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.987122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.987122 (E_RNA) where: Base-Base interactions energy: -1328.182 where: short stacking energy: -544.536 Base-Backbone interact. energy: -2.613 local terms energy: -605.192466 where: bonds (distance) C4'-P energy: -120.029 bonds (distance) P-C4' energy: -131.781 flat angles C4'-P-C4' energy: -119.193 flat angles P-C4'-P energy: -99.357 tors. eta vs tors. theta energy: -134.832 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: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1657.794910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.794910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.794910 (E_RNA) where: Base-Base interactions energy: -1130.736 where: short stacking energy: -489.449 Base-Backbone interact. energy: -2.390 local terms energy: -524.669350 where: bonds (distance) C4'-P energy: -103.281 bonds (distance) P-C4' energy: -101.713 flat angles C4'-P-C4' energy: -118.479 flat angles P-C4'-P energy: -83.170 tors. eta vs tors. theta energy: -118.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1391.206928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.206928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.206928 (E_RNA) where: Base-Base interactions energy: -861.983 where: short stacking energy: -398.651 Base-Backbone interact. energy: -3.035 local terms energy: -526.189708 where: bonds (distance) C4'-P energy: -130.391 bonds (distance) P-C4' energy: -118.474 flat angles C4'-P-C4' energy: -127.158 flat angles P-C4'-P energy: -70.416 tors. eta vs tors. theta energy: -79.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -974.488526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.488526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.488526 (E_RNA) where: Base-Base interactions energy: -628.694 where: short stacking energy: -302.825 Base-Backbone interact. energy: -0.513 local terms energy: -345.281055 where: bonds (distance) C4'-P energy: -80.607 bonds (distance) P-C4' energy: -101.544 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -43.901 tors. eta vs tors. theta energy: -27.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2431.907647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.907647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.907647 (E_RNA) where: Base-Base interactions energy: -1684.796 where: short stacking energy: -730.125 Base-Backbone interact. energy: -1.729 local terms energy: -745.383386 where: bonds (distance) C4'-P energy: -136.197 bonds (distance) P-C4' energy: -135.035 flat angles C4'-P-C4' energy: -148.319 flat angles P-C4'-P energy: -104.784 tors. eta vs tors. theta energy: -221.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2374.935140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.935140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.935140 (E_RNA) where: Base-Base interactions energy: -1693.485 where: short stacking energy: -716.029 Base-Backbone interact. energy: 0.217 local terms energy: -681.666661 where: bonds (distance) C4'-P energy: -120.836 bonds (distance) P-C4' energy: -131.491 flat angles C4'-P-C4' energy: -133.058 flat angles P-C4'-P energy: -93.195 tors. eta vs tors. theta energy: -203.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2424.267818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.267818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.267818 (E_RNA) where: Base-Base interactions energy: -1735.788 where: short stacking energy: -711.485 Base-Backbone interact. energy: -1.196 local terms energy: -687.284376 where: bonds (distance) C4'-P energy: -106.064 bonds (distance) P-C4' energy: -128.359 flat angles C4'-P-C4' energy: -147.887 flat angles P-C4'-P energy: -92.648 tors. eta vs tors. theta energy: -212.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2238.041148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.041148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.041148 (E_RNA) where: Base-Base interactions energy: -1573.476 where: short stacking energy: -702.121 Base-Backbone interact. energy: -1.407 local terms energy: -663.157181 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -121.424 flat angles C4'-P-C4' energy: -141.375 flat angles P-C4'-P energy: -85.099 tors. eta vs tors. theta energy: -201.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -2150.412942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.412942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.412942 (E_RNA) where: Base-Base interactions energy: -1519.764 where: short stacking energy: -651.188 Base-Backbone interact. energy: -3.757 local terms energy: -626.891224 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -108.684 flat angles C4'-P-C4' energy: -134.512 flat angles P-C4'-P energy: -91.635 tors. eta vs tors. theta energy: -187.483 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: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1964.660261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.660261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.660261 (E_RNA) where: Base-Base interactions energy: -1375.283 where: short stacking energy: -567.421 Base-Backbone interact. energy: 0.263 local terms energy: -589.640399 where: bonds (distance) C4'-P energy: -105.140 bonds (distance) P-C4' energy: -124.243 flat angles C4'-P-C4' energy: -125.498 flat angles P-C4'-P energy: -68.041 tors. eta vs tors. theta energy: -166.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1953.204731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.204731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.204731 (E_RNA) where: Base-Base interactions energy: -1359.323 where: short stacking energy: -562.378 Base-Backbone interact. energy: -0.157 local terms energy: -593.724393 where: bonds (distance) C4'-P energy: -91.938 bonds (distance) P-C4' energy: -121.762 flat angles C4'-P-C4' energy: -139.041 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -159.091 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: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1710.364843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.364843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.364843 (E_RNA) where: Base-Base interactions energy: -1157.653 where: short stacking energy: -471.825 Base-Backbone interact. energy: -3.269 local terms energy: -549.443171 where: bonds (distance) C4'-P energy: -126.907 bonds (distance) P-C4' energy: -120.389 flat angles C4'-P-C4' energy: -143.768 flat angles P-C4'-P energy: -40.568 tors. eta vs tors. theta energy: -117.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1474.395692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.395692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.395692 (E_RNA) where: Base-Base interactions energy: -971.184 where: short stacking energy: -443.331 Base-Backbone interact. energy: 0.857 local terms energy: -504.068718 where: bonds (distance) C4'-P energy: -118.439 bonds (distance) P-C4' energy: -104.133 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -117.761 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: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -982.038709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.038709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.038709 (E_RNA) where: Base-Base interactions energy: -596.888 where: short stacking energy: -273.504 Base-Backbone interact. energy: -1.400 local terms energy: -383.750623 where: bonds (distance) C4'-P energy: -118.669 bonds (distance) P-C4' energy: -93.543 flat angles C4'-P-C4' energy: -92.718 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -28.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2472.597053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.597053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.597053 (E_RNA) where: Base-Base interactions energy: -1718.663 where: short stacking energy: -745.326 Base-Backbone interact. energy: -1.879 local terms energy: -752.054820 where: bonds (distance) C4'-P energy: -136.747 bonds (distance) P-C4' energy: -129.666 flat angles C4'-P-C4' energy: -156.358 flat angles P-C4'-P energy: -111.167 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: 2, replica: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2494.600842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.600842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.600842 (E_RNA) where: Base-Base interactions energy: -1759.473 where: short stacking energy: -711.428 Base-Backbone interact. energy: -0.664 local terms energy: -734.463131 where: bonds (distance) C4'-P energy: -147.378 bonds (distance) P-C4' energy: -120.984 flat angles C4'-P-C4' energy: -152.248 flat angles P-C4'-P energy: -99.834 tors. eta vs tors. theta energy: -214.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2370.062447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.062447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.062447 (E_RNA) where: Base-Base interactions energy: -1684.226 where: short stacking energy: -678.521 Base-Backbone interact. energy: -0.362 local terms energy: -685.474609 where: bonds (distance) C4'-P energy: -127.045 bonds (distance) P-C4' energy: -110.855 flat angles C4'-P-C4' energy: -139.035 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -202.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2274.245689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.245689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.245689 (E_RNA) where: Base-Base interactions energy: -1622.115 where: short stacking energy: -708.676 Base-Backbone interact. energy: 0.470 local terms energy: -652.601109 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -116.919 flat angles C4'-P-C4' energy: -142.676 flat angles P-C4'-P energy: -89.606 tors. eta vs tors. theta energy: -190.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2219.939292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.939292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.939292 (E_RNA) where: Base-Base interactions energy: -1561.058 where: short stacking energy: -624.527 Base-Backbone interact. energy: -4.376 local terms energy: -654.506094 where: bonds (distance) C4'-P energy: -113.660 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -142.866 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -182.191 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: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -2029.696314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.696314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.696314 (E_RNA) where: Base-Base interactions energy: -1390.103 where: short stacking energy: -594.145 Base-Backbone interact. energy: -2.618 local terms energy: -636.974764 where: bonds (distance) C4'-P energy: -116.942 bonds (distance) P-C4' energy: -124.011 flat angles C4'-P-C4' energy: -130.681 flat angles P-C4'-P energy: -103.012 tors. eta vs tors. theta energy: -162.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -2011.473446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.473446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.473446 (E_RNA) where: Base-Base interactions energy: -1370.735 where: short stacking energy: -569.074 Base-Backbone interact. energy: -4.500 local terms energy: -636.239046 where: bonds (distance) C4'-P energy: -126.435 bonds (distance) P-C4' energy: -129.635 flat angles C4'-P-C4' energy: -132.940 flat angles P-C4'-P energy: -96.725 tors. eta vs tors. theta energy: -150.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1749.931580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.931580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.931580 (E_RNA) where: Base-Base interactions energy: -1184.736 where: short stacking energy: -522.470 Base-Backbone interact. energy: -4.799 local terms energy: -560.396076 where: bonds (distance) C4'-P energy: -98.052 bonds (distance) P-C4' energy: -120.705 flat angles C4'-P-C4' energy: -111.056 flat angles P-C4'-P energy: -92.070 tors. eta vs tors. theta energy: -138.512 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: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1503.376570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.376570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.376570 (E_RNA) where: Base-Base interactions energy: -1002.514 where: short stacking energy: -432.925 Base-Backbone interact. energy: 0.770 local terms energy: -501.632516 where: bonds (distance) C4'-P energy: -115.696 bonds (distance) P-C4' energy: -112.638 flat angles C4'-P-C4' energy: -105.644 flat angles P-C4'-P energy: -68.728 tors. eta vs tors. theta energy: -98.926 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: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -1018.316695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.316695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.316695 (E_RNA) where: Base-Base interactions energy: -578.902 where: short stacking energy: -263.642 Base-Backbone interact. energy: -0.843 local terms energy: -438.571121 where: bonds (distance) C4'-P energy: -97.118 bonds (distance) P-C4' energy: -126.984 flat angles C4'-P-C4' energy: -97.824 flat angles P-C4'-P energy: -75.661 tors. eta vs tors. theta energy: -40.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2540.736864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.736864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.736864 (E_RNA) where: Base-Base interactions energy: -1811.189 where: short stacking energy: -714.241 Base-Backbone interact. energy: 0.064 local terms energy: -729.611802 where: bonds (distance) C4'-P energy: -123.130 bonds (distance) P-C4' energy: -134.051 flat angles C4'-P-C4' energy: -148.615 flat angles P-C4'-P energy: -109.144 tors. eta vs tors. theta energy: -214.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2399.308191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.308191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.308191 (E_RNA) where: Base-Base interactions energy: -1666.844 where: short stacking energy: -725.793 Base-Backbone interact. energy: 0.259 local terms energy: -732.723370 where: bonds (distance) C4'-P energy: -126.694 bonds (distance) P-C4' energy: -131.874 flat angles C4'-P-C4' energy: -147.412 flat angles P-C4'-P energy: -104.452 tors. eta vs tors. theta energy: -222.291 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: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2347.923055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.923055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.923055 (E_RNA) where: Base-Base interactions energy: -1659.842 where: short stacking energy: -682.378 Base-Backbone interact. energy: 1.146 local terms energy: -689.227185 where: bonds (distance) C4'-P energy: -114.603 bonds (distance) P-C4' energy: -119.762 flat angles C4'-P-C4' energy: -145.841 flat angles P-C4'-P energy: -100.644 tors. eta vs tors. theta energy: -208.378 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: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2206.936039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.936039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.936039 (E_RNA) where: Base-Base interactions energy: -1539.192 where: short stacking energy: -640.874 Base-Backbone interact. energy: -0.295 local terms energy: -667.449165 where: bonds (distance) C4'-P energy: -121.473 bonds (distance) P-C4' energy: -122.266 flat angles C4'-P-C4' energy: -150.108 flat angles P-C4'-P energy: -95.181 tors. eta vs tors. theta energy: -178.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2225.605978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.605978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.605978 (E_RNA) where: Base-Base interactions energy: -1570.193 where: short stacking energy: -646.754 Base-Backbone interact. energy: -2.573 local terms energy: -652.840454 where: bonds (distance) C4'-P energy: -127.209 bonds (distance) P-C4' energy: -122.966 flat angles C4'-P-C4' energy: -132.770 flat angles P-C4'-P energy: -77.818 tors. eta vs tors. theta energy: -192.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1988.619132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.619132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.619132 (E_RNA) where: Base-Base interactions energy: -1412.864 where: short stacking energy: -586.047 Base-Backbone interact. energy: -1.119 local terms energy: -574.636518 where: bonds (distance) C4'-P energy: -115.739 bonds (distance) P-C4' energy: -86.375 flat angles C4'-P-C4' energy: -133.279 flat angles P-C4'-P energy: -77.556 tors. eta vs tors. theta energy: -161.688 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: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1974.500017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.500017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.500017 (E_RNA) where: Base-Base interactions energy: -1375.136 where: short stacking energy: -583.689 Base-Backbone interact. energy: 0.734 local terms energy: -600.098029 where: bonds (distance) C4'-P energy: -94.829 bonds (distance) P-C4' energy: -104.311 flat angles C4'-P-C4' energy: -129.609 flat angles P-C4'-P energy: -96.688 tors. eta vs tors. theta energy: -174.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1701.560421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.560421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.560421 (E_RNA) where: Base-Base interactions energy: -1179.098 where: short stacking energy: -475.961 Base-Backbone interact. energy: -0.548 local terms energy: -521.914131 where: bonds (distance) C4'-P energy: -103.635 bonds (distance) P-C4' energy: -86.879 flat angles C4'-P-C4' energy: -121.642 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -133.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1547.848253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.848253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.848253 (E_RNA) where: Base-Base interactions energy: -1040.660 where: short stacking energy: -445.275 Base-Backbone interact. energy: -0.393 local terms energy: -506.794968 where: bonds (distance) C4'-P energy: -101.467 bonds (distance) P-C4' energy: -104.748 flat angles C4'-P-C4' energy: -114.037 flat angles P-C4'-P energy: -90.587 tors. eta vs tors. theta energy: -95.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -1124.946568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.946568 (E_RNA) where: Base-Base interactions energy: -699.749 where: short stacking energy: -311.045 Base-Backbone interact. energy: -1.982 local terms energy: -423.215624 where: bonds (distance) C4'-P energy: -99.202 bonds (distance) P-C4' energy: -113.139 flat angles C4'-P-C4' energy: -104.132 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -54.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2566.702329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.702329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.702329 (E_RNA) where: Base-Base interactions energy: -1823.806 where: short stacking energy: -732.873 Base-Backbone interact. energy: 1.361 local terms energy: -744.258206 where: bonds (distance) C4'-P energy: -133.906 bonds (distance) P-C4' energy: -140.830 flat angles C4'-P-C4' energy: -151.513 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -218.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2415.417061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.417061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.417061 (E_RNA) where: Base-Base interactions energy: -1691.969 where: short stacking energy: -724.013 Base-Backbone interact. energy: -2.301 local terms energy: -721.147608 where: bonds (distance) C4'-P energy: -127.112 bonds (distance) P-C4' energy: -141.137 flat angles C4'-P-C4' energy: -138.173 flat angles P-C4'-P energy: -96.232 tors. eta vs tors. theta energy: -218.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2365.600859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.600859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.600859 (E_RNA) where: Base-Base interactions energy: -1639.182 where: short stacking energy: -703.723 Base-Backbone interact. energy: -0.841 local terms energy: -725.578169 where: bonds (distance) C4'-P energy: -117.672 bonds (distance) P-C4' energy: -140.552 flat angles C4'-P-C4' energy: -153.870 flat angles P-C4'-P energy: -99.137 tors. eta vs tors. theta energy: -214.348 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: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2236.596607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.596607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.596607 (E_RNA) where: Base-Base interactions energy: -1555.121 where: short stacking energy: -656.858 Base-Backbone interact. energy: -3.132 local terms energy: -678.343022 where: bonds (distance) C4'-P energy: -114.994 bonds (distance) P-C4' energy: -128.275 flat angles C4'-P-C4' energy: -140.619 flat angles P-C4'-P energy: -95.043 tors. eta vs tors. theta energy: -199.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2137.270432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.270432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.270432 (E_RNA) where: Base-Base interactions energy: -1511.630 where: short stacking energy: -625.031 Base-Backbone interact. energy: -2.155 local terms energy: -623.485334 where: bonds (distance) C4'-P energy: -118.873 bonds (distance) P-C4' energy: -99.580 flat angles C4'-P-C4' energy: -129.706 flat angles P-C4'-P energy: -83.937 tors. eta vs tors. theta energy: -191.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -2061.879998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.879998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.879998 (E_RNA) where: Base-Base interactions energy: -1438.122 where: short stacking energy: -588.217 Base-Backbone interact. energy: -1.798 local terms energy: -621.960437 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -121.986 flat angles C4'-P-C4' energy: -141.524 flat angles P-C4'-P energy: -90.908 tors. eta vs tors. theta energy: -161.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1936.398461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.398461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.398461 (E_RNA) where: Base-Base interactions energy: -1351.146 where: short stacking energy: -562.362 Base-Backbone interact. energy: -0.890 local terms energy: -584.362334 where: bonds (distance) C4'-P energy: -107.918 bonds (distance) P-C4' energy: -102.555 flat angles C4'-P-C4' energy: -126.194 flat angles P-C4'-P energy: -99.921 tors. eta vs tors. theta energy: -147.774 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: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1677.639089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.639089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.639089 (E_RNA) where: Base-Base interactions energy: -1143.765 where: short stacking energy: -467.064 Base-Backbone interact. energy: 2.024 local terms energy: -535.899019 where: bonds (distance) C4'-P energy: -88.176 bonds (distance) P-C4' energy: -127.934 flat angles C4'-P-C4' energy: -111.892 flat angles P-C4'-P energy: -83.512 tors. eta vs tors. theta energy: -124.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1587.701550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.701550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.701550 (E_RNA) where: Base-Base interactions energy: -1045.612 where: short stacking energy: -470.367 Base-Backbone interact. energy: -2.354 local terms energy: -539.735284 where: bonds (distance) C4'-P energy: -102.079 bonds (distance) P-C4' energy: -116.679 flat angles C4'-P-C4' energy: -127.112 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -121.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1161.686634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.686634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.686634 (E_RNA) where: Base-Base interactions energy: -728.956 where: short stacking energy: -325.940 Base-Backbone interact. energy: 1.847 local terms energy: -434.578336 where: bonds (distance) C4'-P energy: -94.712 bonds (distance) P-C4' energy: -123.670 flat angles C4'-P-C4' energy: -91.166 flat angles P-C4'-P energy: -76.179 tors. eta vs tors. theta energy: -48.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2551.777930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.777930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.777930 (E_RNA) where: Base-Base interactions energy: -1832.016 where: short stacking energy: -730.214 Base-Backbone interact. energy: -2.882 local terms energy: -716.880322 where: bonds (distance) C4'-P energy: -123.889 bonds (distance) P-C4' energy: -119.684 flat angles C4'-P-C4' energy: -152.810 flat angles P-C4'-P energy: -104.120 tors. eta vs tors. theta energy: -216.377 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: 34 Temperature: 0.950000 Total energy: -2399.531846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.531846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.531846 (E_RNA) where: Base-Base interactions energy: -1657.088 where: short stacking energy: -717.312 Base-Backbone interact. energy: -1.623 local terms energy: -740.821228 where: bonds (distance) C4'-P energy: -123.320 bonds (distance) P-C4' energy: -131.224 flat angles C4'-P-C4' energy: -164.552 flat angles P-C4'-P energy: -100.668 tors. eta vs tors. theta energy: -221.058 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: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2346.175736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.175736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.175736 (E_RNA) where: Base-Base interactions energy: -1641.147 where: short stacking energy: -706.477 Base-Backbone interact. energy: -4.631 local terms energy: -700.397276 where: bonds (distance) C4'-P energy: -122.100 bonds (distance) P-C4' energy: -125.040 flat angles C4'-P-C4' energy: -146.091 flat angles P-C4'-P energy: -105.912 tors. eta vs tors. theta energy: -201.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2191.847381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.847381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.847381 (E_RNA) where: Base-Base interactions energy: -1522.974 where: short stacking energy: -647.829 Base-Backbone interact. energy: 1.176 local terms energy: -670.048727 where: bonds (distance) C4'-P energy: -125.531 bonds (distance) P-C4' energy: -139.780 flat angles C4'-P-C4' energy: -148.278 flat angles P-C4'-P energy: -80.312 tors. eta vs tors. theta energy: -176.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2180.635305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.635305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.635305 (E_RNA) where: Base-Base interactions energy: -1537.224 where: short stacking energy: -643.675 Base-Backbone interact. energy: -1.388 local terms energy: -642.022928 where: bonds (distance) C4'-P energy: -123.060 bonds (distance) P-C4' energy: -118.525 flat angles C4'-P-C4' energy: -136.851 flat angles P-C4'-P energy: -82.000 tors. eta vs tors. theta energy: -181.586 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: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -2091.187477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.187477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.187477 (E_RNA) where: Base-Base interactions energy: -1447.494 where: short stacking energy: -611.099 Base-Backbone interact. energy: -1.093 local terms energy: -642.599918 where: bonds (distance) C4'-P energy: -104.943 bonds (distance) P-C4' energy: -117.447 flat angles C4'-P-C4' energy: -152.515 flat angles P-C4'-P energy: -89.858 tors. eta vs tors. theta energy: -177.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1838.061223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.061223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.061223 (E_RNA) where: Base-Base interactions energy: -1258.420 where: short stacking energy: -557.801 Base-Backbone interact. energy: 4.908 local terms energy: -584.548587 where: bonds (distance) C4'-P energy: -112.564 bonds (distance) P-C4' energy: -109.013 flat angles C4'-P-C4' energy: -135.616 flat angles P-C4'-P energy: -71.508 tors. eta vs tors. theta energy: -155.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1699.603017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.603017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.603017 (E_RNA) where: Base-Base interactions energy: -1154.152 where: short stacking energy: -502.571 Base-Backbone interact. energy: 2.440 local terms energy: -547.890977 where: bonds (distance) C4'-P energy: -98.763 bonds (distance) P-C4' energy: -97.701 flat angles C4'-P-C4' energy: -126.258 flat angles P-C4'-P energy: -85.354 tors. eta vs tors. theta energy: -139.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1530.586989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.586989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.586989 (E_RNA) where: Base-Base interactions energy: -1044.554 where: short stacking energy: -430.500 Base-Backbone interact. energy: 2.472 local terms energy: -488.504780 where: bonds (distance) C4'-P energy: -105.915 bonds (distance) P-C4' energy: -102.276 flat angles C4'-P-C4' energy: -124.924 flat angles P-C4'-P energy: -54.269 tors. eta vs tors. theta energy: -101.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1147.491728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.491728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.491728 (E_RNA) where: Base-Base interactions energy: -708.170 where: short stacking energy: -348.747 Base-Backbone interact. energy: 1.250 local terms energy: -440.570965 where: bonds (distance) C4'-P energy: -110.364 bonds (distance) P-C4' energy: -94.004 flat angles C4'-P-C4' energy: -112.662 flat angles P-C4'-P energy: -61.272 tors. eta vs tors. theta energy: -62.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2548.867049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.867049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.867049 (E_RNA) where: Base-Base interactions energy: -1800.497 where: short stacking energy: -725.184 Base-Backbone interact. energy: -2.596 local terms energy: -745.774387 where: bonds (distance) C4'-P energy: -133.262 bonds (distance) P-C4' energy: -140.250 flat angles C4'-P-C4' energy: -159.470 flat angles P-C4'-P energy: -99.657 tors. eta vs tors. theta energy: -213.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2381.808450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.808450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.808450 (E_RNA) where: Base-Base interactions energy: -1662.188 where: short stacking energy: -720.713 Base-Backbone interact. energy: -2.507 local terms energy: -717.113827 where: bonds (distance) C4'-P energy: -122.860 bonds (distance) P-C4' energy: -135.637 flat angles C4'-P-C4' energy: -151.162 flat angles P-C4'-P energy: -94.422 tors. eta vs tors. theta energy: -213.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2335.219341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.219341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.219341 (E_RNA) where: Base-Base interactions energy: -1629.588 where: short stacking energy: -698.416 Base-Backbone interact. energy: 3.049 local terms energy: -708.680407 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -130.149 flat angles C4'-P-C4' energy: -147.925 flat angles P-C4'-P energy: -95.734 tors. eta vs tors. theta energy: -211.276 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: 4, replica: 5 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2173.510051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.510051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.510051 (E_RNA) where: Base-Base interactions energy: -1498.740 where: short stacking energy: -624.222 Base-Backbone interact. energy: 1.214 local terms energy: -675.984777 where: bonds (distance) C4'-P energy: -111.297 bonds (distance) P-C4' energy: -133.926 flat angles C4'-P-C4' energy: -147.484 flat angles P-C4'-P energy: -97.330 tors. eta vs tors. theta energy: -185.948 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: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2143.997927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.997927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.997927 (E_RNA) where: Base-Base interactions energy: -1518.353 where: short stacking energy: -612.256 Base-Backbone interact. energy: 3.909 local terms energy: -629.553176 where: bonds (distance) C4'-P energy: -116.137 bonds (distance) P-C4' energy: -124.630 flat angles C4'-P-C4' energy: -132.761 flat angles P-C4'-P energy: -82.696 tors. eta vs tors. theta energy: -173.329 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: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2083.743693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.743693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.743693 (E_RNA) where: Base-Base interactions energy: -1470.679 where: short stacking energy: -587.878 Base-Backbone interact. energy: -1.472 local terms energy: -611.592278 where: bonds (distance) C4'-P energy: -96.519 bonds (distance) P-C4' energy: -121.637 flat angles C4'-P-C4' energy: -129.639 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -174.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1796.313920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.313920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.313920 (E_RNA) where: Base-Base interactions energy: -1221.349 where: short stacking energy: -515.891 Base-Backbone interact. energy: -3.554 local terms energy: -571.411721 where: bonds (distance) C4'-P energy: -102.234 bonds (distance) P-C4' energy: -107.371 flat angles C4'-P-C4' energy: -131.336 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -146.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1783.541299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.541299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.541299 (E_RNA) where: Base-Base interactions energy: -1216.794 where: short stacking energy: -517.782 Base-Backbone interact. energy: -0.765 local terms energy: -565.982147 where: bonds (distance) C4'-P energy: -126.120 bonds (distance) P-C4' energy: -109.970 flat angles C4'-P-C4' energy: -120.122 flat angles P-C4'-P energy: -83.197 tors. eta vs tors. theta energy: -126.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1490.066250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.066250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.066250 (E_RNA) where: Base-Base interactions energy: -1019.378 where: short stacking energy: -429.100 Base-Backbone interact. energy: 11.963 local terms energy: -482.651649 where: bonds (distance) C4'-P energy: -103.565 bonds (distance) P-C4' energy: -106.234 flat angles C4'-P-C4' energy: -113.571 flat angles P-C4'-P energy: -62.484 tors. eta vs tors. theta energy: -96.797 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: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1197.800744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.800744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.800744 (E_RNA) where: Base-Base interactions energy: -745.005 where: short stacking energy: -378.123 Base-Backbone interact. energy: 1.841 local terms energy: -454.636905 where: bonds (distance) C4'-P energy: -105.161 bonds (distance) P-C4' energy: -118.028 flat angles C4'-P-C4' energy: -119.746 flat angles P-C4'-P energy: -48.636 tors. eta vs tors. theta energy: -63.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2542.366532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.366532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.366532 (E_RNA) where: Base-Base interactions energy: -1799.720 where: short stacking energy: -723.315 Base-Backbone interact. energy: 1.034 local terms energy: -743.680492 where: bonds (distance) C4'-P energy: -142.830 bonds (distance) P-C4' energy: -139.802 flat angles C4'-P-C4' energy: -147.050 flat angles P-C4'-P energy: -98.381 tors. eta vs tors. theta energy: -215.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2383.940902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.940902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.940902 (E_RNA) where: Base-Base interactions energy: -1651.545 where: short stacking energy: -684.859 Base-Backbone interact. energy: -2.226 local terms energy: -730.170269 where: bonds (distance) C4'-P energy: -130.174 bonds (distance) P-C4' energy: -129.609 flat angles C4'-P-C4' energy: -165.731 flat angles P-C4'-P energy: -93.803 tors. eta vs tors. theta energy: -210.853 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: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2309.138664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.138664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.138664 (E_RNA) where: Base-Base interactions energy: -1589.644 where: short stacking energy: -692.441 Base-Backbone interact. energy: -1.248 local terms energy: -718.246374 where: bonds (distance) C4'-P energy: -116.762 bonds (distance) P-C4' energy: -135.301 flat angles C4'-P-C4' energy: -154.048 flat angles P-C4'-P energy: -103.161 tors. eta vs tors. theta energy: -208.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2211.824039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.824039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.824039 (E_RNA) where: Base-Base interactions energy: -1525.366 where: short stacking energy: -648.006 Base-Backbone interact. energy: -0.302 local terms energy: -686.156004 where: bonds (distance) C4'-P energy: -132.810 bonds (distance) P-C4' energy: -107.433 flat angles C4'-P-C4' energy: -151.831 flat angles P-C4'-P energy: -107.168 tors. eta vs tors. theta energy: -186.914 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: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2189.517078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.517078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.517078 (E_RNA) where: Base-Base interactions energy: -1543.637 where: short stacking energy: -646.516 Base-Backbone interact. energy: -3.371 local terms energy: -642.509281 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -116.994 flat angles C4'-P-C4' energy: -137.047 flat angles P-C4'-P energy: -83.333 tors. eta vs tors. theta energy: -195.239 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: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -2079.892933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.892933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.892933 (E_RNA) where: Base-Base interactions energy: -1446.362 where: short stacking energy: -595.116 Base-Backbone interact. energy: 3.922 local terms energy: -637.453136 where: bonds (distance) C4'-P energy: -116.677 bonds (distance) P-C4' energy: -117.673 flat angles C4'-P-C4' energy: -133.876 flat angles P-C4'-P energy: -87.284 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: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1875.446214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.446214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.446214 (E_RNA) where: Base-Base interactions energy: -1313.337 where: short stacking energy: -544.119 Base-Backbone interact. energy: -2.263 local terms energy: -559.846605 where: bonds (distance) C4'-P energy: -115.197 bonds (distance) P-C4' energy: -111.748 flat angles C4'-P-C4' energy: -108.479 flat angles P-C4'-P energy: -82.016 tors. eta vs tors. theta energy: -142.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1607.571709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.571709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.571709 (E_RNA) where: Base-Base interactions energy: -1098.110 where: short stacking energy: -475.237 Base-Backbone interact. energy: -3.068 local terms energy: -506.393165 where: bonds (distance) C4'-P energy: -102.819 bonds (distance) P-C4' energy: -105.078 flat angles C4'-P-C4' energy: -117.259 flat angles P-C4'-P energy: -69.432 tors. eta vs tors. theta energy: -111.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1507.460425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.460425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.460425 (E_RNA) where: Base-Base interactions energy: -986.623 where: short stacking energy: -437.988 Base-Backbone interact. energy: -5.499 local terms energy: -515.338330 where: bonds (distance) C4'-P energy: -113.347 bonds (distance) P-C4' energy: -127.737 flat angles C4'-P-C4' energy: -104.228 flat angles P-C4'-P energy: -74.675 tors. eta vs tors. theta energy: -95.351 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1185.977466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.977466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.977466 (E_RNA) where: Base-Base interactions energy: -770.184 where: short stacking energy: -329.829 Base-Backbone interact. energy: 2.696 local terms energy: -418.488965 where: bonds (distance) C4'-P energy: -99.470 bonds (distance) P-C4' energy: -102.261 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -63.045 tors. eta vs tors. theta energy: -52.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2541.471736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.471736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.471736 (E_RNA) where: Base-Base interactions energy: -1796.629 where: short stacking energy: -720.298 Base-Backbone interact. energy: -1.346 local terms energy: -743.497012 where: bonds (distance) C4'-P energy: -140.851 bonds (distance) P-C4' energy: -137.616 flat angles C4'-P-C4' energy: -145.494 flat angles P-C4'-P energy: -104.371 tors. eta vs tors. theta energy: -215.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2393.241845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.241845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.241845 (E_RNA) where: Base-Base interactions energy: -1653.798 where: short stacking energy: -697.735 Base-Backbone interact. energy: -3.547 local terms energy: -735.897303 where: bonds (distance) C4'-P energy: -138.900 bonds (distance) P-C4' energy: -129.020 flat angles C4'-P-C4' energy: -150.350 flat angles P-C4'-P energy: -109.586 tors. eta vs tors. theta energy: -208.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2326.975341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.975341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.975341 (E_RNA) where: Base-Base interactions energy: -1627.382 where: short stacking energy: -702.207 Base-Backbone interact. energy: -2.864 local terms energy: -696.728969 where: bonds (distance) C4'-P energy: -118.533 bonds (distance) P-C4' energy: -127.884 flat angles C4'-P-C4' energy: -148.978 flat angles P-C4'-P energy: -101.678 tors. eta vs tors. theta energy: -199.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2359.174271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.174271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.174271 (E_RNA) where: Base-Base interactions energy: -1669.628 where: short stacking energy: -700.356 Base-Backbone interact. energy: -1.919 local terms energy: -687.626761 where: bonds (distance) C4'-P energy: -121.004 bonds (distance) P-C4' energy: -122.014 flat angles C4'-P-C4' energy: -144.151 flat angles P-C4'-P energy: -98.586 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: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2157.825541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.825541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.825541 (E_RNA) where: Base-Base interactions energy: -1488.885 where: short stacking energy: -612.366 Base-Backbone interact. energy: -3.267 local terms energy: -665.674205 where: bonds (distance) C4'-P energy: -115.994 bonds (distance) P-C4' energy: -114.044 flat angles C4'-P-C4' energy: -149.311 flat angles P-C4'-P energy: -96.946 tors. eta vs tors. theta energy: -189.378 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: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -2019.656756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.656756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.656756 (E_RNA) where: Base-Base interactions energy: -1379.092 where: short stacking energy: -554.250 Base-Backbone interact. energy: -2.326 local terms energy: -638.238687 where: bonds (distance) C4'-P energy: -105.502 bonds (distance) P-C4' energy: -126.703 flat angles C4'-P-C4' energy: -139.086 flat angles P-C4'-P energy: -86.876 tors. eta vs tors. theta energy: -180.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1840.986936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.986936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.986936 (E_RNA) where: Base-Base interactions energy: -1279.650 where: short stacking energy: -520.980 Base-Backbone interact. energy: 0.726 local terms energy: -562.063080 where: bonds (distance) C4'-P energy: -114.913 bonds (distance) P-C4' energy: -107.022 flat angles C4'-P-C4' energy: -124.410 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -135.392 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: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1661.606926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.606926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.606926 (E_RNA) where: Base-Base interactions energy: -1139.277 where: short stacking energy: -505.928 Base-Backbone interact. energy: -1.735 local terms energy: -520.594302 where: bonds (distance) C4'-P energy: -95.222 bonds (distance) P-C4' energy: -102.156 flat angles C4'-P-C4' energy: -117.468 flat angles P-C4'-P energy: -75.874 tors. eta vs tors. theta energy: -129.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1424.107815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.107815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.107815 (E_RNA) where: Base-Base interactions energy: -932.953 where: short stacking energy: -390.639 Base-Backbone interact. energy: -2.484 local terms energy: -488.670399 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -99.182 flat angles C4'-P-C4' energy: -139.999 flat angles P-C4'-P energy: -64.630 tors. eta vs tors. theta energy: -75.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1153.265819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.265819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.265819 (E_RNA) where: Base-Base interactions energy: -720.708 where: short stacking energy: -321.241 Base-Backbone interact. energy: -2.088 local terms energy: -430.469400 where: bonds (distance) C4'-P energy: -86.653 bonds (distance) P-C4' energy: -114.208 flat angles C4'-P-C4' energy: -122.556 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -53.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2571.860376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.860376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.860376 (E_RNA) where: Base-Base interactions energy: -1821.064 where: short stacking energy: -727.505 Base-Backbone interact. energy: -4.533 local terms energy: -746.263530 where: bonds (distance) C4'-P energy: -140.092 bonds (distance) P-C4' energy: -136.205 flat angles C4'-P-C4' energy: -147.903 flat angles P-C4'-P energy: -97.295 tors. eta vs tors. theta energy: -224.769 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: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2413.713509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.713509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.713509 (E_RNA) where: Base-Base interactions energy: -1700.960 where: short stacking energy: -710.684 Base-Backbone interact. energy: -1.287 local terms energy: -711.466640 where: bonds (distance) C4'-P energy: -131.159 bonds (distance) P-C4' energy: -129.818 flat angles C4'-P-C4' energy: -147.739 flat angles P-C4'-P energy: -102.332 tors. eta vs tors. theta energy: -200.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2409.629725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.629725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.629725 (E_RNA) where: Base-Base interactions energy: -1719.741 where: short stacking energy: -692.751 Base-Backbone interact. energy: 5.304 local terms energy: -695.193247 where: bonds (distance) C4'-P energy: -122.877 bonds (distance) P-C4' energy: -119.187 flat angles C4'-P-C4' energy: -154.074 flat angles P-C4'-P energy: -103.296 tors. eta vs tors. theta energy: -195.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2287.208628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.208628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.208628 (E_RNA) where: Base-Base interactions energy: -1596.546 where: short stacking energy: -676.061 Base-Backbone interact. energy: -3.310 local terms energy: -687.352948 where: bonds (distance) C4'-P energy: -110.432 bonds (distance) P-C4' energy: -115.238 flat angles C4'-P-C4' energy: -156.610 flat angles P-C4'-P energy: -108.767 tors. eta vs tors. theta energy: -196.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2152.232965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.232965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.232965 (E_RNA) where: Base-Base interactions energy: -1496.018 where: short stacking energy: -600.919 Base-Backbone interact. energy: -2.182 local terms energy: -654.033224 where: bonds (distance) C4'-P energy: -119.385 bonds (distance) P-C4' energy: -130.929 flat angles C4'-P-C4' energy: -135.079 flat angles P-C4'-P energy: -86.226 tors. eta vs tors. theta energy: -182.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -2044.053530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.053530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.053530 (E_RNA) where: Base-Base interactions energy: -1434.994 where: short stacking energy: -595.112 Base-Backbone interact. energy: 3.297 local terms energy: -612.356990 where: bonds (distance) C4'-P energy: -120.364 bonds (distance) P-C4' energy: -115.347 flat angles C4'-P-C4' energy: -123.174 flat angles P-C4'-P energy: -82.323 tors. eta vs tors. theta energy: -171.150 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: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1947.318768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.318768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.318768 (E_RNA) where: Base-Base interactions energy: -1342.129 where: short stacking energy: -554.070 Base-Backbone interact. energy: 2.345 local terms energy: -607.534927 where: bonds (distance) C4'-P energy: -114.472 bonds (distance) P-C4' energy: -137.039 flat angles C4'-P-C4' energy: -124.971 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: -153.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1602.498848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.498848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.498848 (E_RNA) where: Base-Base interactions energy: -1081.909 where: short stacking energy: -466.982 Base-Backbone interact. energy: -1.765 local terms energy: -518.825358 where: bonds (distance) C4'-P energy: -90.135 bonds (distance) P-C4' energy: -112.251 flat angles C4'-P-C4' energy: -122.519 flat angles P-C4'-P energy: -79.560 tors. eta vs tors. theta energy: -114.359 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: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1400.538658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.538658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.538658 (E_RNA) where: Base-Base interactions energy: -911.625 where: short stacking energy: -411.530 Base-Backbone interact. energy: -1.067 local terms energy: -487.846256 where: bonds (distance) C4'-P energy: -111.340 bonds (distance) P-C4' energy: -99.964 flat angles C4'-P-C4' energy: -119.815 flat angles P-C4'-P energy: -73.371 tors. eta vs tors. theta energy: -83.356 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: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1184.401159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.401159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.401159 (E_RNA) where: Base-Base interactions energy: -738.872 where: short stacking energy: -345.917 Base-Backbone interact. energy: 2.057 local terms energy: -447.586464 where: bonds (distance) C4'-P energy: -105.306 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -114.113 flat angles P-C4'-P energy: -63.065 tors. eta vs tors. theta energy: -59.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2572.869616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.869616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.869616 (E_RNA) where: Base-Base interactions energy: -1818.259 where: short stacking energy: -720.893 Base-Backbone interact. energy: -2.501 local terms energy: -752.109580 where: bonds (distance) C4'-P energy: -138.461 bonds (distance) P-C4' energy: -142.145 flat angles C4'-P-C4' energy: -152.486 flat angles P-C4'-P energy: -94.948 tors. eta vs tors. theta energy: -224.070 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: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2401.081288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.081288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.081288 (E_RNA) where: Base-Base interactions energy: -1692.285 where: short stacking energy: -713.388 Base-Backbone interact. energy: 1.162 local terms energy: -709.958603 where: bonds (distance) C4'-P energy: -117.142 bonds (distance) P-C4' energy: -141.151 flat angles C4'-P-C4' energy: -149.580 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -204.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2433.780727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.780727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.780727 (E_RNA) where: Base-Base interactions energy: -1733.030 where: short stacking energy: -695.040 Base-Backbone interact. energy: 0.033 local terms energy: -700.784581 where: bonds (distance) C4'-P energy: -130.547 bonds (distance) P-C4' energy: -127.576 flat angles C4'-P-C4' energy: -142.714 flat angles P-C4'-P energy: -97.087 tors. eta vs tors. theta energy: -202.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2228.255448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.255448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.255448 (E_RNA) where: Base-Base interactions energy: -1537.101 where: short stacking energy: -640.204 Base-Backbone interact. energy: -0.987 local terms energy: -690.167608 where: bonds (distance) C4'-P energy: -127.668 bonds (distance) P-C4' energy: -136.919 flat angles C4'-P-C4' energy: -145.131 flat angles P-C4'-P energy: -92.830 tors. eta vs tors. theta energy: -187.621 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: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2150.641429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.641429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.641429 (E_RNA) where: Base-Base interactions energy: -1488.066 where: short stacking energy: -621.625 Base-Backbone interact. energy: -3.308 local terms energy: -659.267355 where: bonds (distance) C4'-P energy: -109.331 bonds (distance) P-C4' energy: -132.588 flat angles C4'-P-C4' energy: -150.314 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: -181.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -2069.690937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.690937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.690937 (E_RNA) where: Base-Base interactions energy: -1443.505 where: short stacking energy: -585.482 Base-Backbone interact. energy: -3.200 local terms energy: -622.986446 where: bonds (distance) C4'-P energy: -114.370 bonds (distance) P-C4' energy: -124.558 flat angles C4'-P-C4' energy: -140.356 flat angles P-C4'-P energy: -84.863 tors. eta vs tors. theta energy: -158.840 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: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1999.225633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.225633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.225633 (E_RNA) where: Base-Base interactions energy: -1389.875 where: short stacking energy: -568.857 Base-Backbone interact. energy: -2.631 local terms energy: -606.719718 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -118.418 flat angles C4'-P-C4' energy: -127.051 flat angles P-C4'-P energy: -88.848 tors. eta vs tors. theta energy: -165.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1566.963812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.963812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.963812 (E_RNA) where: Base-Base interactions energy: -1062.379 where: short stacking energy: -452.762 Base-Backbone interact. energy: 0.585 local terms energy: -505.170139 where: bonds (distance) C4'-P energy: -99.071 bonds (distance) P-C4' energy: -99.583 flat angles C4'-P-C4' energy: -124.485 flat angles P-C4'-P energy: -80.832 tors. eta vs tors. theta energy: -101.199 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: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1411.313089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.313089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.313089 (E_RNA) where: Base-Base interactions energy: -927.102 where: short stacking energy: -394.455 Base-Backbone interact. energy: -0.685 local terms energy: -483.525825 where: bonds (distance) C4'-P energy: -105.924 bonds (distance) P-C4' energy: -124.156 flat angles C4'-P-C4' energy: -102.233 flat angles P-C4'-P energy: -59.582 tors. eta vs tors. theta energy: -91.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1230.834766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.834766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.834766 (E_RNA) where: Base-Base interactions energy: -807.972 where: short stacking energy: -355.393 Base-Backbone interact. energy: -2.482 local terms energy: -420.380912 where: bonds (distance) C4'-P energy: -99.178 bonds (distance) P-C4' energy: -105.054 flat angles C4'-P-C4' energy: -97.511 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -57.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2585.718432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.718432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.718432 (E_RNA) where: Base-Base interactions energy: -1837.342 where: short stacking energy: -731.437 Base-Backbone interact. energy: 1.156 local terms energy: -749.531797 where: bonds (distance) C4'-P energy: -133.547 bonds (distance) P-C4' energy: -148.987 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -96.622 tors. eta vs tors. theta energy: -215.989 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: 40 Temperature: 0.950000 Total energy: -2405.705265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.705265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.705265 (E_RNA) where: Base-Base interactions energy: -1701.710 where: short stacking energy: -715.115 Base-Backbone interact. energy: -1.695 local terms energy: -702.300938 where: bonds (distance) C4'-P energy: -128.806 bonds (distance) P-C4' energy: -128.189 flat angles C4'-P-C4' energy: -156.691 flat angles P-C4'-P energy: -88.902 tors. eta vs tors. theta energy: -199.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2419.695779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.695779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.695779 (E_RNA) where: Base-Base interactions energy: -1723.969 where: short stacking energy: -703.975 Base-Backbone interact. energy: -5.299 local terms energy: -690.428183 where: bonds (distance) C4'-P energy: -113.817 bonds (distance) P-C4' energy: -128.980 flat angles C4'-P-C4' energy: -146.554 flat angles P-C4'-P energy: -99.266 tors. eta vs tors. theta energy: -201.810 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: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2233.008356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.008356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.008356 (E_RNA) where: Base-Base interactions energy: -1565.886 where: short stacking energy: -669.399 Base-Backbone interact. energy: -2.457 local terms energy: -664.665982 where: bonds (distance) C4'-P energy: -118.116 bonds (distance) P-C4' energy: -121.854 flat angles C4'-P-C4' energy: -149.257 flat angles P-C4'-P energy: -84.213 tors. eta vs tors. theta energy: -191.227 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: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2195.901085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.901085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.901085 (E_RNA) where: Base-Base interactions energy: -1567.993 where: short stacking energy: -622.662 Base-Backbone interact. energy: -1.277 local terms energy: -626.631524 where: bonds (distance) C4'-P energy: -108.407 bonds (distance) P-C4' energy: -116.720 flat angles C4'-P-C4' energy: -150.422 flat angles P-C4'-P energy: -79.358 tors. eta vs tors. theta energy: -171.724 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: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -2064.119093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.119093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.119093 (E_RNA) where: Base-Base interactions energy: -1434.436 where: short stacking energy: -571.086 Base-Backbone interact. energy: -2.315 local terms energy: -627.367874 where: bonds (distance) C4'-P energy: -105.667 bonds (distance) P-C4' energy: -121.580 flat angles C4'-P-C4' energy: -154.030 flat angles P-C4'-P energy: -84.886 tors. eta vs tors. theta energy: -161.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1806.658117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.658117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.658117 (E_RNA) where: Base-Base interactions energy: -1235.254 where: short stacking energy: -528.699 Base-Backbone interact. energy: 4.378 local terms energy: -575.781917 where: bonds (distance) C4'-P energy: -102.464 bonds (distance) P-C4' energy: -109.345 flat angles C4'-P-C4' energy: -122.937 flat angles P-C4'-P energy: -94.309 tors. eta vs tors. theta energy: -146.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1613.111785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.111785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.111785 (E_RNA) where: Base-Base interactions energy: -1057.167 where: short stacking energy: -495.803 Base-Backbone interact. energy: 4.945 local terms energy: -560.889744 where: bonds (distance) C4'-P energy: -113.275 bonds (distance) P-C4' energy: -117.711 flat angles C4'-P-C4' energy: -113.105 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -136.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1440.916520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.916520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.916520 (E_RNA) where: Base-Base interactions energy: -919.887 where: short stacking energy: -440.538 Base-Backbone interact. energy: 0.578 local terms energy: -521.607718 where: bonds (distance) C4'-P energy: -102.450 bonds (distance) P-C4' energy: -127.471 flat angles C4'-P-C4' energy: -100.316 flat angles P-C4'-P energy: -89.164 tors. eta vs tors. theta energy: -102.207 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: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1293.392941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.392941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.392941 (E_RNA) where: Base-Base interactions energy: -817.005 where: short stacking energy: -361.561 Base-Backbone interact. energy: -1.421 local terms energy: -474.966863 where: bonds (distance) C4'-P energy: -111.613 bonds (distance) P-C4' energy: -113.236 flat angles C4'-P-C4' energy: -118.301 flat angles P-C4'-P energy: -61.856 tors. eta vs tors. theta energy: -69.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2592.446586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.446586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.446586 (E_RNA) where: Base-Base interactions energy: -1830.767 where: short stacking energy: -737.960 Base-Backbone interact. energy: -0.905 local terms energy: -760.775046 where: bonds (distance) C4'-P energy: -132.074 bonds (distance) P-C4' energy: -142.267 flat angles C4'-P-C4' energy: -144.265 flat angles P-C4'-P energy: -115.856 tors. eta vs tors. theta energy: -226.314 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: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2390.921921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.921921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.921921 (E_RNA) where: Base-Base interactions energy: -1707.688 where: short stacking energy: -693.150 Base-Backbone interact. energy: -1.486 local terms energy: -681.747593 where: bonds (distance) C4'-P energy: -115.057 bonds (distance) P-C4' energy: -118.462 flat angles C4'-P-C4' energy: -141.114 flat angles P-C4'-P energy: -98.763 tors. eta vs tors. theta energy: -208.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2418.183385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.183385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.183385 (E_RNA) where: Base-Base interactions energy: -1723.433 where: short stacking energy: -682.253 Base-Backbone interact. energy: 2.817 local terms energy: -697.567711 where: bonds (distance) C4'-P energy: -132.086 bonds (distance) P-C4' energy: -123.834 flat angles C4'-P-C4' energy: -149.604 flat angles P-C4'-P energy: -91.429 tors. eta vs tors. theta energy: -200.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2213.238994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.238994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.238994 (E_RNA) where: Base-Base interactions energy: -1534.338 where: short stacking energy: -648.926 Base-Backbone interact. energy: -1.839 local terms energy: -677.061799 where: bonds (distance) C4'-P energy: -125.081 bonds (distance) P-C4' energy: -133.754 flat angles C4'-P-C4' energy: -139.129 flat angles P-C4'-P energy: -84.388 tors. eta vs tors. theta energy: -194.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2180.822006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.822006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.822006 (E_RNA) where: Base-Base interactions energy: -1522.165 where: short stacking energy: -631.555 Base-Backbone interact. energy: -1.906 local terms energy: -656.750290 where: bonds (distance) C4'-P energy: -121.227 bonds (distance) P-C4' energy: -114.777 flat angles C4'-P-C4' energy: -144.561 flat angles P-C4'-P energy: -97.282 tors. eta vs tors. theta energy: -178.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2069.372177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.372177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.372177 (E_RNA) where: Base-Base interactions energy: -1444.755 where: short stacking energy: -587.688 Base-Backbone interact. energy: 0.288 local terms energy: -624.905725 where: bonds (distance) C4'-P energy: -123.599 bonds (distance) P-C4' energy: -127.874 flat angles C4'-P-C4' energy: -136.007 flat angles P-C4'-P energy: -74.390 tors. eta vs tors. theta energy: -163.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1724.607128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.607128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.607128 (E_RNA) where: Base-Base interactions energy: -1127.729 where: short stacking energy: -506.382 Base-Backbone interact. energy: 0.480 local terms energy: -597.358020 where: bonds (distance) C4'-P energy: -122.035 bonds (distance) P-C4' energy: -121.865 flat angles C4'-P-C4' energy: -134.529 flat angles P-C4'-P energy: -90.786 tors. eta vs tors. theta energy: -128.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1569.854134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.854134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.854134 (E_RNA) where: Base-Base interactions energy: -1057.793 where: short stacking energy: -453.173 Base-Backbone interact. energy: -2.116 local terms energy: -509.945343 where: bonds (distance) C4'-P energy: -105.987 bonds (distance) P-C4' energy: -88.046 flat angles C4'-P-C4' energy: -129.261 flat angles P-C4'-P energy: -83.102 tors. eta vs tors. theta energy: -103.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1417.693989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.693989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.693989 (E_RNA) where: Base-Base interactions energy: -960.847 where: short stacking energy: -446.192 Base-Backbone interact. energy: 3.803 local terms energy: -460.649500 where: bonds (distance) C4'-P energy: -75.773 bonds (distance) P-C4' energy: -112.891 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -99.864 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1189.078911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.078911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.078911 (E_RNA) where: Base-Base interactions energy: -736.905 where: short stacking energy: -328.768 Base-Backbone interact. energy: -4.226 local terms energy: -447.948330 where: bonds (distance) C4'-P energy: -92.240 bonds (distance) P-C4' energy: -117.520 flat angles C4'-P-C4' energy: -98.728 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: -59.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2606.846047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.846047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.846047 (E_RNA) where: Base-Base interactions energy: -1829.641 where: short stacking energy: -722.032 Base-Backbone interact. energy: -2.231 local terms energy: -774.974272 where: bonds (distance) C4'-P energy: -133.597 bonds (distance) P-C4' energy: -135.925 flat angles C4'-P-C4' energy: -157.469 flat angles P-C4'-P energy: -126.019 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: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2431.863483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.863483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.863483 (E_RNA) where: Base-Base interactions energy: -1696.380 where: short stacking energy: -708.374 Base-Backbone interact. energy: -3.337 local terms energy: -732.146935 where: bonds (distance) C4'-P energy: -143.570 bonds (distance) P-C4' energy: -121.055 flat angles C4'-P-C4' energy: -152.865 flat angles P-C4'-P energy: -112.157 tors. eta vs tors. theta energy: -202.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2420.144642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.144642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.144642 (E_RNA) where: Base-Base interactions energy: -1694.737 where: short stacking energy: -701.102 Base-Backbone interact. energy: -2.017 local terms energy: -723.390955 where: bonds (distance) C4'-P energy: -134.141 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -152.389 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -206.048 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: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2274.580088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.580088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.580088 (E_RNA) where: Base-Base interactions energy: -1606.019 where: short stacking energy: -682.296 Base-Backbone interact. energy: 3.086 local terms energy: -671.647258 where: bonds (distance) C4'-P energy: -106.947 bonds (distance) P-C4' energy: -127.054 flat angles C4'-P-C4' energy: -145.044 flat angles P-C4'-P energy: -91.323 tors. eta vs tors. theta energy: -201.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2140.291864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.291864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.291864 (E_RNA) where: Base-Base interactions energy: -1515.754 where: short stacking energy: -636.931 Base-Backbone interact. energy: -2.073 local terms energy: -622.465518 where: bonds (distance) C4'-P energy: -117.104 bonds (distance) P-C4' energy: -94.658 flat angles C4'-P-C4' energy: -139.397 flat angles P-C4'-P energy: -94.610 tors. eta vs tors. theta energy: -176.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2068.081924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.081924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.081924 (E_RNA) where: Base-Base interactions energy: -1465.749 where: short stacking energy: -590.405 Base-Backbone interact. energy: 2.878 local terms energy: -605.211316 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -130.837 flat angles C4'-P-C4' energy: -138.195 flat angles P-C4'-P energy: -75.140 tors. eta vs tors. theta energy: -165.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1736.347768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.347768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.347768 (E_RNA) where: Base-Base interactions energy: -1179.898 where: short stacking energy: -537.014 Base-Backbone interact. energy: -1.256 local terms energy: -555.193957 where: bonds (distance) C4'-P energy: -126.320 bonds (distance) P-C4' energy: -112.972 flat angles C4'-P-C4' energy: -124.226 flat angles P-C4'-P energy: -55.930 tors. eta vs tors. theta energy: -135.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1562.918698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.918698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.918698 (E_RNA) where: Base-Base interactions energy: -1043.774 where: short stacking energy: -456.217 Base-Backbone interact. energy: -3.379 local terms energy: -515.766137 where: bonds (distance) C4'-P energy: -117.323 bonds (distance) P-C4' energy: -120.026 flat angles C4'-P-C4' energy: -114.559 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: -108.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1389.394243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.394243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.394243 (E_RNA) where: Base-Base interactions energy: -905.446 where: short stacking energy: -402.752 Base-Backbone interact. energy: -1.539 local terms energy: -482.409785 where: bonds (distance) C4'-P energy: -105.118 bonds (distance) P-C4' energy: -105.640 flat angles C4'-P-C4' energy: -105.323 flat angles P-C4'-P energy: -61.552 tors. eta vs tors. theta energy: -104.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1174.572919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.572919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.572919 (E_RNA) where: Base-Base interactions energy: -759.046 where: short stacking energy: -358.142 Base-Backbone interact. energy: 0.460 local terms energy: -415.986500 where: bonds (distance) C4'-P energy: -86.431 bonds (distance) P-C4' energy: -108.286 flat angles C4'-P-C4' energy: -107.127 flat angles P-C4'-P energy: -61.656 tors. eta vs tors. theta energy: -52.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2601.812299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.812299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.812299 (E_RNA) where: Base-Base interactions energy: -1850.852 where: short stacking energy: -754.417 Base-Backbone interact. energy: -3.298 local terms energy: -747.661430 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -130.881 flat angles C4'-P-C4' energy: -159.930 flat angles P-C4'-P energy: -107.820 tors. eta vs tors. theta energy: -224.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2463.993693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.993693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.993693 (E_RNA) where: Base-Base interactions energy: -1774.732 where: short stacking energy: -706.761 Base-Backbone interact. energy: -1.443 local terms energy: -687.818752 where: bonds (distance) C4'-P energy: -122.974 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -134.950 flat angles P-C4'-P energy: -97.879 tors. eta vs tors. theta energy: -200.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2360.614610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.614610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.614610 (E_RNA) where: Base-Base interactions energy: -1648.961 where: short stacking energy: -690.963 Base-Backbone interact. energy: 0.140 local terms energy: -711.794125 where: bonds (distance) C4'-P energy: -128.687 bonds (distance) P-C4' energy: -130.082 flat angles C4'-P-C4' energy: -154.865 flat angles P-C4'-P energy: -100.079 tors. eta vs tors. theta energy: -198.081 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: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2269.994337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.994337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.994337 (E_RNA) where: Base-Base interactions energy: -1591.849 where: short stacking energy: -672.053 Base-Backbone interact. energy: -0.452 local terms energy: -677.693553 where: bonds (distance) C4'-P energy: -116.561 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -146.178 flat angles P-C4'-P energy: -98.537 tors. eta vs tors. theta energy: -196.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2127.284591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.284591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.284591 (E_RNA) where: Base-Base interactions energy: -1479.875 where: short stacking energy: -631.994 Base-Backbone interact. energy: 5.142 local terms energy: -652.551510 where: bonds (distance) C4'-P energy: -116.082 bonds (distance) P-C4' energy: -130.790 flat angles C4'-P-C4' energy: -147.301 flat angles P-C4'-P energy: -80.172 tors. eta vs tors. theta energy: -178.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2020.277945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.277945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.277945 (E_RNA) where: Base-Base interactions energy: -1436.857 where: short stacking energy: -564.157 Base-Backbone interact. energy: -1.618 local terms energy: -581.802321 where: bonds (distance) C4'-P energy: -100.515 bonds (distance) P-C4' energy: -116.285 flat angles C4'-P-C4' energy: -119.798 flat angles P-C4'-P energy: -89.458 tors. eta vs tors. theta energy: -155.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1774.639613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.639613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.639613 (E_RNA) where: Base-Base interactions energy: -1213.945 where: short stacking energy: -543.621 Base-Backbone interact. energy: 2.950 local terms energy: -563.644413 where: bonds (distance) C4'-P energy: -99.619 bonds (distance) P-C4' energy: -115.813 flat angles C4'-P-C4' energy: -125.381 flat angles P-C4'-P energy: -75.899 tors. eta vs tors. theta energy: -146.932 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: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1567.025389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.025389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.025389 (E_RNA) where: Base-Base interactions energy: -1073.038 where: short stacking energy: -486.805 Base-Backbone interact. energy: 5.071 local terms energy: -499.058335 where: bonds (distance) C4'-P energy: -93.170 bonds (distance) P-C4' energy: -85.614 flat angles C4'-P-C4' energy: -132.531 flat angles P-C4'-P energy: -66.013 tors. eta vs tors. theta energy: -121.731 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: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1428.271452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.271452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.271452 (E_RNA) where: Base-Base interactions energy: -933.105 where: short stacking energy: -422.920 Base-Backbone interact. energy: 4.244 local terms energy: -499.410096 where: bonds (distance) C4'-P energy: -105.430 bonds (distance) P-C4' energy: -112.060 flat angles C4'-P-C4' energy: -113.012 flat angles P-C4'-P energy: -76.260 tors. eta vs tors. theta energy: -92.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1219.708517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.708517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.708517 (E_RNA) where: Base-Base interactions energy: -747.949 where: short stacking energy: -336.209 Base-Backbone interact. energy: 5.620 local terms energy: -477.379110 where: bonds (distance) C4'-P energy: -113.394 bonds (distance) P-C4' energy: -105.414 flat angles C4'-P-C4' energy: -119.983 flat angles P-C4'-P energy: -80.564 tors. eta vs tors. theta energy: -58.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2621.256499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.256499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.256499 (E_RNA) where: Base-Base interactions energy: -1847.643 where: short stacking energy: -747.198 Base-Backbone interact. energy: -1.282 local terms energy: -772.331716 where: bonds (distance) C4'-P energy: -142.281 bonds (distance) P-C4' energy: -140.394 flat angles C4'-P-C4' energy: -164.106 flat angles P-C4'-P energy: -101.465 tors. eta vs tors. theta energy: -224.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2477.505803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.505803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.505803 (E_RNA) where: Base-Base interactions energy: -1766.931 where: short stacking energy: -725.241 Base-Backbone interact. energy: -2.972 local terms energy: -707.602240 where: bonds (distance) C4'-P energy: -113.127 bonds (distance) P-C4' energy: -140.413 flat angles C4'-P-C4' energy: -134.497 flat angles P-C4'-P energy: -103.112 tors. eta vs tors. theta energy: -216.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2324.862753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.862753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.862753 (E_RNA) where: Base-Base interactions energy: -1643.847 where: short stacking energy: -686.372 Base-Backbone interact. energy: -2.827 local terms energy: -678.188288 where: bonds (distance) C4'-P energy: -113.349 bonds (distance) P-C4' energy: -116.622 flat angles C4'-P-C4' energy: -150.224 flat angles P-C4'-P energy: -102.525 tors. eta vs tors. theta energy: -195.469 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: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2244.089392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.089392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.089392 (E_RNA) where: Base-Base interactions energy: -1583.118 where: short stacking energy: -665.700 Base-Backbone interact. energy: -1.041 local terms energy: -659.930527 where: bonds (distance) C4'-P energy: -105.927 bonds (distance) P-C4' energy: -108.919 flat angles C4'-P-C4' energy: -146.384 flat angles P-C4'-P energy: -104.940 tors. eta vs tors. theta energy: -193.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2164.609445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.609445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.609445 (E_RNA) where: Base-Base interactions energy: -1522.645 where: short stacking energy: -642.806 Base-Backbone interact. energy: -2.158 local terms energy: -639.806404 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -118.670 flat angles C4'-P-C4' energy: -147.338 flat angles P-C4'-P energy: -79.603 tors. eta vs tors. theta energy: -196.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2027.082247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.082247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.082247 (E_RNA) where: Base-Base interactions energy: -1412.651 where: short stacking energy: -587.310 Base-Backbone interact. energy: 3.381 local terms energy: -617.811782 where: bonds (distance) C4'-P energy: -124.626 bonds (distance) P-C4' energy: -127.327 flat angles C4'-P-C4' energy: -129.749 flat angles P-C4'-P energy: -80.225 tors. eta vs tors. theta energy: -155.884 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: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1743.950772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.950772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.950772 (E_RNA) where: Base-Base interactions energy: -1150.778 where: short stacking energy: -533.086 Base-Backbone interact. energy: -2.273 local terms energy: -590.899607 where: bonds (distance) C4'-P energy: -113.815 bonds (distance) P-C4' energy: -103.270 flat angles C4'-P-C4' energy: -120.815 flat angles P-C4'-P energy: -102.848 tors. eta vs tors. theta energy: -150.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1599.379676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.379676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.379676 (E_RNA) where: Base-Base interactions energy: -1061.114 where: short stacking energy: -463.064 Base-Backbone interact. energy: 4.325 local terms energy: -542.590947 where: bonds (distance) C4'-P energy: -107.433 bonds (distance) P-C4' energy: -101.992 flat angles C4'-P-C4' energy: -128.689 flat angles P-C4'-P energy: -87.967 tors. eta vs tors. theta energy: -116.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1438.265245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.265245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.265245 (E_RNA) where: Base-Base interactions energy: -944.010 where: short stacking energy: -418.745 Base-Backbone interact. energy: -1.955 local terms energy: -492.299790 where: bonds (distance) C4'-P energy: -102.081 bonds (distance) P-C4' energy: -107.993 flat angles C4'-P-C4' energy: -113.961 flat angles P-C4'-P energy: -68.386 tors. eta vs tors. theta energy: -99.879 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: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1206.463962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.463962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.463962 (E_RNA) where: Base-Base interactions energy: -794.534 where: short stacking energy: -357.472 Base-Backbone interact. energy: -1.039 local terms energy: -410.890190 where: bonds (distance) C4'-P energy: -108.818 bonds (distance) P-C4' energy: -104.641 flat angles C4'-P-C4' energy: -104.028 flat angles P-C4'-P energy: -47.460 tors. eta vs tors. theta energy: -45.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2601.145697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.145697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.145697 (E_RNA) where: Base-Base interactions energy: -1827.999 where: short stacking energy: -738.788 Base-Backbone interact. energy: 0.390 local terms energy: -773.536671 where: bonds (distance) C4'-P energy: -130.993 bonds (distance) P-C4' energy: -129.078 flat angles C4'-P-C4' energy: -164.820 flat angles P-C4'-P energy: -115.882 tors. eta vs tors. theta energy: -232.762 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: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2487.775459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.775459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.775459 (E_RNA) where: Base-Base interactions energy: -1785.817 where: short stacking energy: -721.161 Base-Backbone interact. energy: 0.227 local terms energy: -702.185946 where: bonds (distance) C4'-P energy: -127.264 bonds (distance) P-C4' energy: -132.515 flat angles C4'-P-C4' energy: -140.553 flat angles P-C4'-P energy: -91.386 tors. eta vs tors. theta energy: -210.468 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: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2336.457548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.457548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.457548 (E_RNA) where: Base-Base interactions energy: -1631.009 where: short stacking energy: -674.134 Base-Backbone interact. energy: -3.367 local terms energy: -702.081382 where: bonds (distance) C4'-P energy: -119.836 bonds (distance) P-C4' energy: -132.249 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -97.655 tors. eta vs tors. theta energy: -208.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2279.166488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.166488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.166488 (E_RNA) where: Base-Base interactions energy: -1594.590 where: short stacking energy: -646.272 Base-Backbone interact. energy: 0.544 local terms energy: -685.121250 where: bonds (distance) C4'-P energy: -110.153 bonds (distance) P-C4' energy: -137.769 flat angles C4'-P-C4' energy: -145.223 flat angles P-C4'-P energy: -96.720 tors. eta vs tors. theta energy: -195.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2145.092497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.092497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.092497 (E_RNA) where: Base-Base interactions energy: -1502.993 where: short stacking energy: -633.201 Base-Backbone interact. energy: 0.137 local terms energy: -642.237255 where: bonds (distance) C4'-P energy: -115.408 bonds (distance) P-C4' energy: -113.730 flat angles C4'-P-C4' energy: -127.384 flat angles P-C4'-P energy: -94.527 tors. eta vs tors. theta energy: -191.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2016.542280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.542280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.542280 (E_RNA) where: Base-Base interactions energy: -1395.438 where: short stacking energy: -585.762 Base-Backbone interact. energy: 1.035 local terms energy: -622.138940 where: bonds (distance) C4'-P energy: -109.304 bonds (distance) P-C4' energy: -128.185 flat angles C4'-P-C4' energy: -140.418 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -157.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1765.810155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.810155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.810155 (E_RNA) where: Base-Base interactions energy: -1199.592 where: short stacking energy: -530.407 Base-Backbone interact. energy: 2.479 local terms energy: -568.697665 where: bonds (distance) C4'-P energy: -120.823 bonds (distance) P-C4' energy: -122.591 flat angles C4'-P-C4' energy: -125.262 flat angles P-C4'-P energy: -60.968 tors. eta vs tors. theta energy: -139.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1611.413731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.413731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.413731 (E_RNA) where: Base-Base interactions energy: -1050.334 where: short stacking energy: -472.625 Base-Backbone interact. energy: -2.339 local terms energy: -558.741546 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -122.764 flat angles C4'-P-C4' energy: -116.972 flat angles P-C4'-P energy: -82.167 tors. eta vs tors. theta energy: -128.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1370.547735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.547735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.547735 (E_RNA) where: Base-Base interactions energy: -901.862 where: short stacking energy: -398.941 Base-Backbone interact. energy: 1.410 local terms energy: -470.095615 where: bonds (distance) C4'-P energy: -99.604 bonds (distance) P-C4' energy: -103.102 flat angles C4'-P-C4' energy: -125.236 flat angles P-C4'-P energy: -71.394 tors. eta vs tors. theta energy: -70.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1184.703243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.703243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.703243 (E_RNA) where: Base-Base interactions energy: -770.499 where: short stacking energy: -338.178 Base-Backbone interact. energy: 5.091 local terms energy: -419.295595 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -107.681 flat angles C4'-P-C4' energy: -109.866 flat angles P-C4'-P energy: -49.241 tors. eta vs tors. theta energy: -58.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2605.056163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.056163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.056163 (E_RNA) where: Base-Base interactions energy: -1849.696 where: short stacking energy: -769.502 Base-Backbone interact. energy: -1.908 local terms energy: -753.451409 where: bonds (distance) C4'-P energy: -130.666 bonds (distance) P-C4' energy: -121.938 flat angles C4'-P-C4' energy: -157.096 flat angles P-C4'-P energy: -117.240 tors. eta vs tors. theta energy: -226.512 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: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2494.589539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.589539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.589539 (E_RNA) where: Base-Base interactions energy: -1791.224 where: short stacking energy: -728.143 Base-Backbone interact. energy: -5.007 local terms energy: -698.357757 where: bonds (distance) C4'-P energy: -129.716 bonds (distance) P-C4' energy: -103.138 flat angles C4'-P-C4' energy: -152.881 flat angles P-C4'-P energy: -99.986 tors. eta vs tors. theta energy: -212.637 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: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2315.755076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.755076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.755076 (E_RNA) where: Base-Base interactions energy: -1614.505 where: short stacking energy: -664.157 Base-Backbone interact. energy: -3.064 local terms energy: -698.186117 where: bonds (distance) C4'-P energy: -126.503 bonds (distance) P-C4' energy: -131.618 flat angles C4'-P-C4' energy: -156.567 flat angles P-C4'-P energy: -94.089 tors. eta vs tors. theta energy: -189.410 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: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2248.686153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.686153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.686153 (E_RNA) where: Base-Base interactions energy: -1587.843 where: short stacking energy: -678.850 Base-Backbone interact. energy: 5.033 local terms energy: -665.875795 where: bonds (distance) C4'-P energy: -101.943 bonds (distance) P-C4' energy: -129.595 flat angles C4'-P-C4' energy: -137.707 flat angles P-C4'-P energy: -92.943 tors. eta vs tors. theta energy: -203.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2157.938895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.938895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.938895 (E_RNA) where: Base-Base interactions energy: -1504.274 where: short stacking energy: -626.126 Base-Backbone interact. energy: 0.456 local terms energy: -654.120350 where: bonds (distance) C4'-P energy: -118.466 bonds (distance) P-C4' energy: -124.363 flat angles C4'-P-C4' energy: -143.241 flat angles P-C4'-P energy: -79.724 tors. eta vs tors. theta energy: -188.326 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: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2056.233885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.233885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.233885 (E_RNA) where: Base-Base interactions energy: -1483.817 where: short stacking energy: -624.015 Base-Backbone interact. energy: -2.668 local terms energy: -569.749425 where: bonds (distance) C4'-P energy: -104.153 bonds (distance) P-C4' energy: -103.504 flat angles C4'-P-C4' energy: -122.279 flat angles P-C4'-P energy: -77.405 tors. eta vs tors. theta energy: -162.408 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: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1805.714953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.714953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.714953 (E_RNA) where: Base-Base interactions energy: -1228.847 where: short stacking energy: -527.573 Base-Backbone interact. energy: 1.844 local terms energy: -578.711503 where: bonds (distance) C4'-P energy: -118.497 bonds (distance) P-C4' energy: -109.598 flat angles C4'-P-C4' energy: -124.834 flat angles P-C4'-P energy: -86.194 tors. eta vs tors. theta energy: -139.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1655.409049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.409049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.409049 (E_RNA) where: Base-Base interactions energy: -1074.795 where: short stacking energy: -479.854 Base-Backbone interact. energy: 1.365 local terms energy: -581.979245 where: bonds (distance) C4'-P energy: -122.055 bonds (distance) P-C4' energy: -121.929 flat angles C4'-P-C4' energy: -115.028 flat angles P-C4'-P energy: -95.256 tors. eta vs tors. theta energy: -127.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1306.096575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.096575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.096575 (E_RNA) where: Base-Base interactions energy: -833.921 where: short stacking energy: -368.252 Base-Backbone interact. energy: -1.344 local terms energy: -470.831249 where: bonds (distance) C4'-P energy: -115.475 bonds (distance) P-C4' energy: -103.964 flat angles C4'-P-C4' energy: -99.260 flat angles P-C4'-P energy: -71.145 tors. eta vs tors. theta energy: -80.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1251.101223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.101223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.101223 (E_RNA) where: Base-Base interactions energy: -775.198 where: short stacking energy: -342.272 Base-Backbone interact. energy: 4.464 local terms energy: -480.367466 where: bonds (distance) C4'-P energy: -119.829 bonds (distance) P-C4' energy: -123.222 flat angles C4'-P-C4' energy: -118.065 flat angles P-C4'-P energy: -63.362 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: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2613.330067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.330067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.330067 (E_RNA) where: Base-Base interactions energy: -1851.502 where: short stacking energy: -761.901 Base-Backbone interact. energy: -1.106 local terms energy: -760.722390 where: bonds (distance) C4'-P energy: -138.775 bonds (distance) P-C4' energy: -132.427 flat angles C4'-P-C4' energy: -154.967 flat angles P-C4'-P energy: -98.539 tors. eta vs tors. theta energy: -236.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2477.769187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.769187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.769187 (E_RNA) where: Base-Base interactions energy: -1743.660 where: short stacking energy: -718.329 Base-Backbone interact. energy: -1.276 local terms energy: -732.832960 where: bonds (distance) C4'-P energy: -122.729 bonds (distance) P-C4' energy: -142.664 flat angles C4'-P-C4' energy: -150.884 flat angles P-C4'-P energy: -110.857 tors. eta vs tors. theta energy: -205.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2344.403513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.403513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.403513 (E_RNA) where: Base-Base interactions energy: -1649.593 where: short stacking energy: -682.683 Base-Backbone interact. energy: -2.166 local terms energy: -692.644697 where: bonds (distance) C4'-P energy: -123.751 bonds (distance) P-C4' energy: -111.258 flat angles C4'-P-C4' energy: -142.256 flat angles P-C4'-P energy: -112.866 tors. eta vs tors. theta energy: -202.514 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: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2244.435357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.435357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.435357 (E_RNA) where: Base-Base interactions energy: -1578.798 where: short stacking energy: -681.289 Base-Backbone interact. energy: -0.192 local terms energy: -665.445381 where: bonds (distance) C4'-P energy: -110.351 bonds (distance) P-C4' energy: -118.047 flat angles C4'-P-C4' energy: -140.195 flat angles P-C4'-P energy: -95.040 tors. eta vs tors. theta energy: -201.813 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: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2172.189801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.189801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.189801 (E_RNA) where: Base-Base interactions energy: -1519.044 where: short stacking energy: -644.312 Base-Backbone interact. energy: -1.034 local terms energy: -652.111982 where: bonds (distance) C4'-P energy: -93.141 bonds (distance) P-C4' energy: -104.494 flat angles C4'-P-C4' energy: -151.185 flat angles P-C4'-P energy: -107.364 tors. eta vs tors. theta energy: -195.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2029.931478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.931478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.931478 (E_RNA) where: Base-Base interactions energy: -1413.562 where: short stacking energy: -584.212 Base-Backbone interact. energy: -1.789 local terms energy: -614.581434 where: bonds (distance) C4'-P energy: -115.003 bonds (distance) P-C4' energy: -118.802 flat angles C4'-P-C4' energy: -135.364 flat angles P-C4'-P energy: -87.507 tors. eta vs tors. theta energy: -157.906 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: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1778.130557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.130557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.130557 (E_RNA) where: Base-Base interactions energy: -1218.637 where: short stacking energy: -530.884 Base-Backbone interact. energy: 2.255 local terms energy: -561.749299 where: bonds (distance) C4'-P energy: -100.618 bonds (distance) P-C4' energy: -119.880 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -85.169 tors. eta vs tors. theta energy: -147.948 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: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1575.586235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.586235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.586235 (E_RNA) where: Base-Base interactions energy: -1042.510 where: short stacking energy: -432.548 Base-Backbone interact. energy: -2.456 local terms energy: -530.620135 where: bonds (distance) C4'-P energy: -112.138 bonds (distance) P-C4' energy: -122.422 flat angles C4'-P-C4' energy: -111.334 flat angles P-C4'-P energy: -86.789 tors. eta vs tors. theta energy: -97.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1289.934104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.934104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.934104 (E_RNA) where: Base-Base interactions energy: -847.575 where: short stacking energy: -382.569 Base-Backbone interact. energy: -2.854 local terms energy: -439.505390 where: bonds (distance) C4'-P energy: -96.664 bonds (distance) P-C4' energy: -96.989 flat angles C4'-P-C4' energy: -104.940 flat angles P-C4'-P energy: -60.955 tors. eta vs tors. theta energy: -79.957 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: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1193.038921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.038921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.038921 (E_RNA) where: Base-Base interactions energy: -781.172 where: short stacking energy: -349.883 Base-Backbone interact. energy: 4.671 local terms energy: -416.537408 where: bonds (distance) C4'-P energy: -102.961 bonds (distance) P-C4' energy: -102.923 flat angles C4'-P-C4' energy: -94.468 flat angles P-C4'-P energy: -62.298 tors. eta vs tors. theta energy: -53.889 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: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2608.288322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.288322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.288322 (E_RNA) where: Base-Base interactions energy: -1831.671 where: short stacking energy: -757.457 Base-Backbone interact. energy: 2.517 local terms energy: -779.133542 where: bonds (distance) C4'-P energy: -134.665 bonds (distance) P-C4' energy: -142.666 flat angles C4'-P-C4' energy: -160.414 flat angles P-C4'-P energy: -108.100 tors. eta vs tors. theta energy: -233.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2475.087570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.087570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.087570 (E_RNA) where: Base-Base interactions energy: -1767.869 where: short stacking energy: -717.554 Base-Backbone interact. energy: -1.497 local terms energy: -705.721850 where: bonds (distance) C4'-P energy: -122.662 bonds (distance) P-C4' energy: -124.911 flat angles C4'-P-C4' energy: -149.339 flat angles P-C4'-P energy: -97.197 tors. eta vs tors. theta energy: -211.614 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: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2346.983702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.983702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.983702 (E_RNA) where: Base-Base interactions energy: -1642.293 where: short stacking energy: -675.979 Base-Backbone interact. energy: -0.500 local terms energy: -704.190917 where: bonds (distance) C4'-P energy: -126.521 bonds (distance) P-C4' energy: -118.084 flat angles C4'-P-C4' energy: -159.759 flat angles P-C4'-P energy: -105.156 tors. eta vs tors. theta energy: -194.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2264.922371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.922371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.922371 (E_RNA) where: Base-Base interactions energy: -1587.932 where: short stacking energy: -661.021 Base-Backbone interact. energy: -1.160 local terms energy: -675.830482 where: bonds (distance) C4'-P energy: -127.398 bonds (distance) P-C4' energy: -117.415 flat angles C4'-P-C4' energy: -130.142 flat angles P-C4'-P energy: -104.932 tors. eta vs tors. theta energy: -195.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2150.554610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.554610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.554610 (E_RNA) where: Base-Base interactions energy: -1494.164 where: short stacking energy: -625.848 Base-Backbone interact. energy: -4.439 local terms energy: -651.950970 where: bonds (distance) C4'-P energy: -118.256 bonds (distance) P-C4' energy: -138.305 flat angles C4'-P-C4' energy: -137.607 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -179.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2080.490740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.490740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.490740 (E_RNA) where: Base-Base interactions energy: -1457.583 where: short stacking energy: -608.182 Base-Backbone interact. energy: -4.456 local terms energy: -618.451232 where: bonds (distance) C4'-P energy: -115.422 bonds (distance) P-C4' energy: -111.051 flat angles C4'-P-C4' energy: -134.292 flat angles P-C4'-P energy: -94.424 tors. eta vs tors. theta energy: -163.262 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: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1737.673385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.673385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.673385 (E_RNA) where: Base-Base interactions energy: -1173.021 where: short stacking energy: -490.369 Base-Backbone interact. energy: -4.128 local terms energy: -560.524652 where: bonds (distance) C4'-P energy: -109.918 bonds (distance) P-C4' energy: -106.807 flat angles C4'-P-C4' energy: -120.826 flat angles P-C4'-P energy: -78.764 tors. eta vs tors. theta energy: -144.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1598.907954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.907954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.907954 (E_RNA) where: Base-Base interactions energy: -1055.481 where: short stacking energy: -479.325 Base-Backbone interact. energy: 0.156 local terms energy: -543.583106 where: bonds (distance) C4'-P energy: -102.945 bonds (distance) P-C4' energy: -124.936 flat angles C4'-P-C4' energy: -118.909 flat angles P-C4'-P energy: -74.496 tors. eta vs tors. theta energy: -122.296 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: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1290.153358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.153358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.153358 (E_RNA) where: Base-Base interactions energy: -847.154 where: short stacking energy: -391.448 Base-Backbone interact. energy: -1.534 local terms energy: -441.465244 where: bonds (distance) C4'-P energy: -94.893 bonds (distance) P-C4' energy: -85.391 flat angles C4'-P-C4' energy: -110.713 flat angles P-C4'-P energy: -72.948 tors. eta vs tors. theta energy: -77.520 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: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1195.188545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.188545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.188545 (E_RNA) where: Base-Base interactions energy: -765.895 where: short stacking energy: -359.239 Base-Backbone interact. energy: 4.995 local terms energy: -434.288653 where: bonds (distance) C4'-P energy: -93.794 bonds (distance) P-C4' energy: -102.181 flat angles C4'-P-C4' energy: -103.419 flat angles P-C4'-P energy: -61.704 tors. eta vs tors. theta energy: -73.190 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: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2628.723943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.723943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.723943 (E_RNA) where: Base-Base interactions energy: -1874.715 where: short stacking energy: -758.562 Base-Backbone interact. energy: -2.633 local terms energy: -751.376120 where: bonds (distance) C4'-P energy: -117.069 bonds (distance) P-C4' energy: -132.316 flat angles C4'-P-C4' energy: -149.008 flat angles P-C4'-P energy: -115.923 tors. eta vs tors. theta energy: -237.060 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: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2504.775201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.775201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.775201 (E_RNA) where: Base-Base interactions energy: -1779.153 where: short stacking energy: -729.937 Base-Backbone interact. energy: 1.975 local terms energy: -727.597575 where: bonds (distance) C4'-P energy: -139.424 bonds (distance) P-C4' energy: -134.133 flat angles C4'-P-C4' energy: -138.529 flat angles P-C4'-P energy: -97.442 tors. eta vs tors. theta energy: -218.069 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: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2326.918283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.918283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.918283 (E_RNA) where: Base-Base interactions energy: -1635.866 where: short stacking energy: -667.835 Base-Backbone interact. energy: -1.540 local terms energy: -689.512924 where: bonds (distance) C4'-P energy: -113.352 bonds (distance) P-C4' energy: -126.258 flat angles C4'-P-C4' energy: -157.785 flat angles P-C4'-P energy: -95.738 tors. eta vs tors. theta energy: -196.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2204.536758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.536758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.536758 (E_RNA) where: Base-Base interactions energy: -1510.519 where: short stacking energy: -643.616 Base-Backbone interact. energy: -0.331 local terms energy: -693.687483 where: bonds (distance) C4'-P energy: -123.646 bonds (distance) P-C4' energy: -132.992 flat angles C4'-P-C4' energy: -145.211 flat angles P-C4'-P energy: -101.811 tors. eta vs tors. theta energy: -190.027 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: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2173.565891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.565891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.565891 (E_RNA) where: Base-Base interactions energy: -1528.471 where: short stacking energy: -649.840 Base-Backbone interact. energy: -4.279 local terms energy: -640.815285 where: bonds (distance) C4'-P energy: -119.926 bonds (distance) P-C4' energy: -111.026 flat angles C4'-P-C4' energy: -151.063 flat angles P-C4'-P energy: -84.191 tors. eta vs tors. theta energy: -174.609 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: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2086.364437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.364437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.364437 (E_RNA) where: Base-Base interactions energy: -1458.257 where: short stacking energy: -586.732 Base-Backbone interact. energy: -2.064 local terms energy: -626.043490 where: bonds (distance) C4'-P energy: -106.002 bonds (distance) P-C4' energy: -120.040 flat angles C4'-P-C4' energy: -141.973 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -172.679 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: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1763.401783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.401783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.401783 (E_RNA) where: Base-Base interactions energy: -1157.283 where: short stacking energy: -527.795 Base-Backbone interact. energy: 0.881 local terms energy: -607.000316 where: bonds (distance) C4'-P energy: -120.617 bonds (distance) P-C4' energy: -113.785 flat angles C4'-P-C4' energy: -136.225 flat angles P-C4'-P energy: -92.795 tors. eta vs tors. theta energy: -143.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1587.885620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.885620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.885620 (E_RNA) where: Base-Base interactions energy: -1061.950 where: short stacking energy: -457.907 Base-Backbone interact. energy: 2.560 local terms energy: -528.495885 where: bonds (distance) C4'-P energy: -112.229 bonds (distance) P-C4' energy: -122.307 flat angles C4'-P-C4' energy: -94.889 flat angles P-C4'-P energy: -83.058 tors. eta vs tors. theta energy: -116.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1367.350891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.350891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.350891 (E_RNA) where: Base-Base interactions energy: -891.174 where: short stacking energy: -386.162 Base-Backbone interact. energy: 3.719 local terms energy: -479.896191 where: bonds (distance) C4'-P energy: -107.524 bonds (distance) P-C4' energy: -117.336 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -69.772 tors. eta vs tors. theta energy: -82.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1171.192195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.192195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.192195 (E_RNA) where: Base-Base interactions energy: -735.053 where: short stacking energy: -320.060 Base-Backbone interact. energy: -4.958 local terms energy: -431.181330 where: bonds (distance) C4'-P energy: -93.067 bonds (distance) P-C4' energy: -109.376 flat angles C4'-P-C4' energy: -103.833 flat angles P-C4'-P energy: -70.891 tors. eta vs tors. theta energy: -54.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2615.210639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.210639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.210639 (E_RNA) where: Base-Base interactions energy: -1847.404 where: short stacking energy: -732.959 Base-Backbone interact. energy: -3.998 local terms energy: -763.808711 where: bonds (distance) C4'-P energy: -127.816 bonds (distance) P-C4' energy: -143.997 flat angles C4'-P-C4' energy: -154.821 flat angles P-C4'-P energy: -113.976 tors. eta vs tors. theta energy: -223.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2512.528451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.528451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.528451 (E_RNA) where: Base-Base interactions energy: -1784.565 where: short stacking energy: -738.974 Base-Backbone interact. energy: -0.281 local terms energy: -727.683060 where: bonds (distance) C4'-P energy: -129.923 bonds (distance) P-C4' energy: -126.851 flat angles C4'-P-C4' energy: -157.592 flat angles P-C4'-P energy: -105.528 tors. eta vs tors. theta energy: -207.789 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: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2334.650762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.650762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.650762 (E_RNA) where: Base-Base interactions energy: -1645.127 where: short stacking energy: -684.720 Base-Backbone interact. energy: -2.985 local terms energy: -686.538728 where: bonds (distance) C4'-P energy: -120.598 bonds (distance) P-C4' energy: -131.488 flat angles C4'-P-C4' energy: -144.682 flat angles P-C4'-P energy: -93.382 tors. eta vs tors. theta energy: -196.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2228.159011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.159011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.159011 (E_RNA) where: Base-Base interactions energy: -1545.172 where: short stacking energy: -660.404 Base-Backbone interact. energy: -3.000 local terms energy: -679.986765 where: bonds (distance) C4'-P energy: -114.796 bonds (distance) P-C4' energy: -122.536 flat angles C4'-P-C4' energy: -136.796 flat angles P-C4'-P energy: -104.913 tors. eta vs tors. theta energy: -200.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2199.453772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.453772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.453772 (E_RNA) where: Base-Base interactions energy: -1552.850 where: short stacking energy: -649.975 Base-Backbone interact. energy: 0.643 local terms energy: -647.246390 where: bonds (distance) C4'-P energy: -101.656 bonds (distance) P-C4' energy: -128.402 flat angles C4'-P-C4' energy: -145.015 flat angles P-C4'-P energy: -83.842 tors. eta vs tors. theta energy: -188.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2096.431590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.431590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.431590 (E_RNA) where: Base-Base interactions energy: -1476.097 where: short stacking energy: -606.559 Base-Backbone interact. energy: -1.455 local terms energy: -618.879236 where: bonds (distance) C4'-P energy: -115.538 bonds (distance) P-C4' energy: -117.706 flat angles C4'-P-C4' energy: -116.712 flat angles P-C4'-P energy: -99.931 tors. eta vs tors. theta energy: -168.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1688.135970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.135970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.135970 (E_RNA) where: Base-Base interactions energy: -1157.051 where: short stacking energy: -482.458 Base-Backbone interact. energy: -0.165 local terms energy: -530.920042 where: bonds (distance) C4'-P energy: -105.114 bonds (distance) P-C4' energy: -105.884 flat angles C4'-P-C4' energy: -126.294 flat angles P-C4'-P energy: -70.055 tors. eta vs tors. theta energy: -123.572 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: 50 Temperature: 1.250000 Total energy: -1647.980711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.980711 (E_RNA) where: Base-Base interactions energy: -1128.095 where: short stacking energy: -484.829 Base-Backbone interact. energy: -4.226 local terms energy: -515.658826 where: bonds (distance) C4'-P energy: -90.722 bonds (distance) P-C4' energy: -100.450 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -72.161 tors. eta vs tors. theta energy: -131.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1196.096258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.096258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.096258 (E_RNA) where: Base-Base interactions energy: -772.651 where: short stacking energy: -349.036 Base-Backbone interact. energy: 4.688 local terms energy: -428.133828 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -96.371 flat angles C4'-P-C4' energy: -103.280 flat angles P-C4'-P energy: -70.387 tors. eta vs tors. theta energy: -47.341 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: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1298.990508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.990508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.990508 (E_RNA) where: Base-Base interactions energy: -840.949 where: short stacking energy: -371.983 Base-Backbone interact. energy: 0.945 local terms energy: -458.986343 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -102.556 flat angles C4'-P-C4' energy: -109.178 flat angles P-C4'-P energy: -58.326 tors. eta vs tors. theta energy: -81.810 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: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2622.589843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.589843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.589843 (E_RNA) where: Base-Base interactions energy: -1862.159 where: short stacking energy: -736.071 Base-Backbone interact. energy: -1.828 local terms energy: -758.602037 where: bonds (distance) C4'-P energy: -130.457 bonds (distance) P-C4' energy: -140.058 flat angles C4'-P-C4' energy: -154.604 flat angles P-C4'-P energy: -105.742 tors. eta vs tors. theta energy: -227.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2502.345305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.345305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.345305 (E_RNA) where: Base-Base interactions energy: -1791.708 where: short stacking energy: -732.565 Base-Backbone interact. energy: -1.165 local terms energy: -709.472728 where: bonds (distance) C4'-P energy: -115.722 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -156.473 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -220.180 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: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2338.640970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.640970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.640970 (E_RNA) where: Base-Base interactions energy: -1652.509 where: short stacking energy: -699.215 Base-Backbone interact. energy: -4.810 local terms energy: -681.321803 where: bonds (distance) C4'-P energy: -110.007 bonds (distance) P-C4' energy: -130.257 flat angles C4'-P-C4' energy: -147.867 flat angles P-C4'-P energy: -92.828 tors. eta vs tors. theta energy: -200.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2215.170807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.170807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.170807 (E_RNA) where: Base-Base interactions energy: -1562.581 where: short stacking energy: -652.291 Base-Backbone interact. energy: 0.467 local terms energy: -653.057088 where: bonds (distance) C4'-P energy: -119.660 bonds (distance) P-C4' energy: -108.951 flat angles C4'-P-C4' energy: -139.203 flat angles P-C4'-P energy: -88.926 tors. eta vs tors. theta energy: -196.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2206.601989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.601989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.601989 (E_RNA) where: Base-Base interactions energy: -1575.305 where: short stacking energy: -682.280 Base-Backbone interact. energy: 0.792 local terms energy: -632.089001 where: bonds (distance) C4'-P energy: -110.268 bonds (distance) P-C4' energy: -122.092 flat angles C4'-P-C4' energy: -145.601 flat angles P-C4'-P energy: -76.797 tors. eta vs tors. theta energy: -177.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2097.385530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.385530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.385530 (E_RNA) where: Base-Base interactions energy: -1455.351 where: short stacking energy: -600.479 Base-Backbone interact. energy: 6.116 local terms energy: -648.150192 where: bonds (distance) C4'-P energy: -121.135 bonds (distance) P-C4' energy: -128.507 flat angles C4'-P-C4' energy: -135.203 flat angles P-C4'-P energy: -88.409 tors. eta vs tors. theta energy: -174.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1684.084331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.084331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.084331 (E_RNA) where: Base-Base interactions energy: -1133.137 where: short stacking energy: -492.247 Base-Backbone interact. energy: 0.352 local terms energy: -551.299374 where: bonds (distance) C4'-P energy: -105.738 bonds (distance) P-C4' energy: -125.201 flat angles C4'-P-C4' energy: -119.142 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -126.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1576.183513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.183513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.183513 (E_RNA) where: Base-Base interactions energy: -1016.084 where: short stacking energy: -451.612 Base-Backbone interact. energy: -2.621 local terms energy: -557.478664 where: bonds (distance) C4'-P energy: -129.312 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -123.939 flat angles P-C4'-P energy: -66.502 tors. eta vs tors. theta energy: -109.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1305.597189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.597189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.597189 (E_RNA) where: Base-Base interactions energy: -839.913 where: short stacking energy: -385.380 Base-Backbone interact. energy: 2.553 local terms energy: -468.237173 where: bonds (distance) C4'-P energy: -97.127 bonds (distance) P-C4' energy: -107.952 flat angles C4'-P-C4' energy: -113.706 flat angles P-C4'-P energy: -69.697 tors. eta vs tors. theta energy: -79.754 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: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1313.344459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.344459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.344459 (E_RNA) where: Base-Base interactions energy: -889.867 where: short stacking energy: -397.112 Base-Backbone interact. energy: 7.829 local terms energy: -431.306898 where: bonds (distance) C4'-P energy: -113.881 bonds (distance) P-C4' energy: -85.159 flat angles C4'-P-C4' energy: -86.913 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: -81.161 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: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2627.587733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.587733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.587733 (E_RNA) where: Base-Base interactions energy: -1877.864 where: short stacking energy: -742.303 Base-Backbone interact. energy: -3.005 local terms energy: -746.718899 where: bonds (distance) C4'-P energy: -131.121 bonds (distance) P-C4' energy: -126.079 flat angles C4'-P-C4' energy: -164.374 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -231.717 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: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2498.478054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.478054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.478054 (E_RNA) where: Base-Base interactions energy: -1754.555 where: short stacking energy: -718.766 Base-Backbone interact. energy: -2.793 local terms energy: -741.129989 where: bonds (distance) C4'-P energy: -132.286 bonds (distance) P-C4' energy: -135.283 flat angles C4'-P-C4' energy: -157.426 flat angles P-C4'-P energy: -108.597 tors. eta vs tors. theta energy: -207.539 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: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2315.524769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.524769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.524769 (E_RNA) where: Base-Base interactions energy: -1613.767 where: short stacking energy: -675.473 Base-Backbone interact. energy: -0.274 local terms energy: -701.484330 where: bonds (distance) C4'-P energy: -126.623 bonds (distance) P-C4' energy: -125.716 flat angles C4'-P-C4' energy: -152.051 flat angles P-C4'-P energy: -96.349 tors. eta vs tors. theta energy: -200.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2198.140650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.140650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.140650 (E_RNA) where: Base-Base interactions energy: -1512.019 where: short stacking energy: -655.388 Base-Backbone interact. energy: -1.720 local terms energy: -684.400911 where: bonds (distance) C4'-P energy: -121.851 bonds (distance) P-C4' energy: -132.402 flat angles C4'-P-C4' energy: -134.046 flat angles P-C4'-P energy: -90.721 tors. eta vs tors. theta energy: -205.382 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: 52 Temperature: 1.100000 Total energy: -2181.864480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.864480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.864480 (E_RNA) where: Base-Base interactions energy: -1537.233 where: short stacking energy: -641.083 Base-Backbone interact. energy: -2.577 local terms energy: -642.055107 where: bonds (distance) C4'-P energy: -97.643 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -146.617 flat angles P-C4'-P energy: -87.432 tors. eta vs tors. theta energy: -177.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2064.308298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.308298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.308298 (E_RNA) where: Base-Base interactions energy: -1441.608 where: short stacking energy: -577.725 Base-Backbone interact. energy: 0.795 local terms energy: -623.495671 where: bonds (distance) C4'-P energy: -112.287 bonds (distance) P-C4' energy: -120.401 flat angles C4'-P-C4' energy: -142.658 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -154.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1745.054806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.054806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.054806 (E_RNA) where: Base-Base interactions energy: -1204.757 where: short stacking energy: -518.484 Base-Backbone interact. energy: -1.547 local terms energy: -538.751418 where: bonds (distance) C4'-P energy: -126.448 bonds (distance) P-C4' energy: -96.223 flat angles C4'-P-C4' energy: -121.415 flat angles P-C4'-P energy: -64.367 tors. eta vs tors. theta energy: -130.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1576.490995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.490995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.490995 (E_RNA) where: Base-Base interactions energy: -1052.793 where: short stacking energy: -444.457 Base-Backbone interact. energy: -2.846 local terms energy: -520.851640 where: bonds (distance) C4'-P energy: -106.883 bonds (distance) P-C4' energy: -117.148 flat angles C4'-P-C4' energy: -126.282 flat angles P-C4'-P energy: -72.705 tors. eta vs tors. theta energy: -97.834 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: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1367.053524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.053524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.053524 (E_RNA) where: Base-Base interactions energy: -879.304 where: short stacking energy: -393.146 Base-Backbone interact. energy: 0.129 local terms energy: -487.878236 where: bonds (distance) C4'-P energy: -114.872 bonds (distance) P-C4' energy: -100.357 flat angles C4'-P-C4' energy: -118.837 flat angles P-C4'-P energy: -78.487 tors. eta vs tors. theta energy: -75.325 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: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1254.135795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.135795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.135795 (E_RNA) where: Base-Base interactions energy: -821.027 where: short stacking energy: -354.595 Base-Backbone interact. energy: 0.796 local terms energy: -433.904730 where: bonds (distance) C4'-P energy: -106.559 bonds (distance) P-C4' energy: -92.210 flat angles C4'-P-C4' energy: -100.023 flat angles P-C4'-P energy: -63.334 tors. eta vs tors. theta energy: -71.778 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: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2647.819771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.819771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.819771 (E_RNA) where: Base-Base interactions energy: -1882.107 where: short stacking energy: -755.337 Base-Backbone interact. energy: -1.300 local terms energy: -764.412864 where: bonds (distance) C4'-P energy: -138.723 bonds (distance) P-C4' energy: -146.025 flat angles C4'-P-C4' energy: -146.016 flat angles P-C4'-P energy: -99.516 tors. eta vs tors. theta energy: -234.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2504.659753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.659753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.659753 (E_RNA) where: Base-Base interactions energy: -1789.870 where: short stacking energy: -723.090 Base-Backbone interact. energy: 2.077 local terms energy: -716.867124 where: bonds (distance) C4'-P energy: -134.930 bonds (distance) P-C4' energy: -125.938 flat angles C4'-P-C4' energy: -146.835 flat angles P-C4'-P energy: -100.103 tors. eta vs tors. theta energy: -209.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2289.941781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.941781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.941781 (E_RNA) where: Base-Base interactions energy: -1582.903 where: short stacking energy: -697.862 Base-Backbone interact. energy: -2.010 local terms energy: -705.029460 where: bonds (distance) C4'-P energy: -123.093 bonds (distance) P-C4' energy: -133.279 flat angles C4'-P-C4' energy: -151.674 flat angles P-C4'-P energy: -91.756 tors. eta vs tors. theta energy: -205.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2289.562992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.562992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.562992 (E_RNA) where: Base-Base interactions energy: -1591.652 where: short stacking energy: -682.152 Base-Backbone interact. energy: -1.047 local terms energy: -696.864761 where: bonds (distance) C4'-P energy: -122.653 bonds (distance) P-C4' energy: -141.649 flat angles C4'-P-C4' energy: -143.858 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -204.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2129.919095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.919095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.919095 (E_RNA) where: Base-Base interactions energy: -1485.944 where: short stacking energy: -615.708 Base-Backbone interact. energy: -0.846 local terms energy: -643.129439 where: bonds (distance) C4'-P energy: -114.942 bonds (distance) P-C4' energy: -115.089 flat angles C4'-P-C4' energy: -141.241 flat angles P-C4'-P energy: -90.899 tors. eta vs tors. theta energy: -180.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2081.974252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.974252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.974252 (E_RNA) where: Base-Base interactions energy: -1464.034 where: short stacking energy: -599.287 Base-Backbone interact. energy: -1.624 local terms energy: -616.316495 where: bonds (distance) C4'-P energy: -110.980 bonds (distance) P-C4' energy: -96.983 flat angles C4'-P-C4' energy: -146.106 flat angles P-C4'-P energy: -97.264 tors. eta vs tors. theta energy: -164.983 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: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1822.229367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.229367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.229367 (E_RNA) where: Base-Base interactions energy: -1240.387 where: short stacking energy: -557.500 Base-Backbone interact. energy: 2.653 local terms energy: -584.495419 where: bonds (distance) C4'-P energy: -102.184 bonds (distance) P-C4' energy: -120.185 flat angles C4'-P-C4' energy: -139.132 flat angles P-C4'-P energy: -75.798 tors. eta vs tors. theta energy: -147.196 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: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1617.003033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.003033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.003033 (E_RNA) where: Base-Base interactions energy: -1091.363 where: short stacking energy: -445.255 Base-Backbone interact. energy: 1.202 local terms energy: -526.842452 where: bonds (distance) C4'-P energy: -104.927 bonds (distance) P-C4' energy: -115.616 flat angles C4'-P-C4' energy: -124.084 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -101.489 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: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1320.210441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.210441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.210441 (E_RNA) where: Base-Base interactions energy: -846.825 where: short stacking energy: -378.108 Base-Backbone interact. energy: 7.718 local terms energy: -481.102844 where: bonds (distance) C4'-P energy: -96.508 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -114.831 flat angles P-C4'-P energy: -46.374 tors. eta vs tors. theta energy: -97.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1329.494957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.494957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.494957 (E_RNA) where: Base-Base interactions energy: -910.305 where: short stacking energy: -399.192 Base-Backbone interact. energy: 5.012 local terms energy: -424.202381 where: bonds (distance) C4'-P energy: -82.505 bonds (distance) P-C4' energy: -113.176 flat angles C4'-P-C4' energy: -104.858 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: -68.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2611.322815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.322815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.322815 (E_RNA) where: Base-Base interactions energy: -1851.833 where: short stacking energy: -732.379 Base-Backbone interact. energy: -2.458 local terms energy: -757.032306 where: bonds (distance) C4'-P energy: -132.371 bonds (distance) P-C4' energy: -140.340 flat angles C4'-P-C4' energy: -155.306 flat angles P-C4'-P energy: -103.840 tors. eta vs tors. theta energy: -225.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2507.901017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.901017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.901017 (E_RNA) where: Base-Base interactions energy: -1756.743 where: short stacking energy: -726.127 Base-Backbone interact. energy: -2.980 local terms energy: -748.177934 where: bonds (distance) C4'-P energy: -130.248 bonds (distance) P-C4' energy: -135.870 flat angles C4'-P-C4' energy: -157.571 flat angles P-C4'-P energy: -109.489 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: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2357.378229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.378229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.378229 (E_RNA) where: Base-Base interactions energy: -1650.162 where: short stacking energy: -689.446 Base-Backbone interact. energy: 1.814 local terms energy: -709.029876 where: bonds (distance) C4'-P energy: -141.695 bonds (distance) P-C4' energy: -124.122 flat angles C4'-P-C4' energy: -147.867 flat angles P-C4'-P energy: -97.421 tors. eta vs tors. theta energy: -197.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2238.859855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.859855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.859855 (E_RNA) where: Base-Base interactions energy: -1548.372 where: short stacking energy: -676.850 Base-Backbone interact. energy: -0.919 local terms energy: -689.568538 where: bonds (distance) C4'-P energy: -118.635 bonds (distance) P-C4' energy: -115.078 flat angles C4'-P-C4' energy: -151.266 flat angles P-C4'-P energy: -106.178 tors. eta vs tors. theta energy: -198.412 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: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2102.520636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.520636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.520636 (E_RNA) where: Base-Base interactions energy: -1440.119 where: short stacking energy: -625.091 Base-Backbone interact. energy: 0.822 local terms energy: -663.224051 where: bonds (distance) C4'-P energy: -109.883 bonds (distance) P-C4' energy: -136.783 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -99.486 tors. eta vs tors. theta energy: -185.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2065.531477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.531477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.531477 (E_RNA) where: Base-Base interactions energy: -1448.390 where: short stacking energy: -572.797 Base-Backbone interact. energy: -1.432 local terms energy: -615.709693 where: bonds (distance) C4'-P energy: -107.636 bonds (distance) P-C4' energy: -111.671 flat angles C4'-P-C4' energy: -142.736 flat angles P-C4'-P energy: -98.305 tors. eta vs tors. theta energy: -155.361 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: 7, replica: 2 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1845.872321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.872321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.872321 (E_RNA) where: Base-Base interactions energy: -1250.051 where: short stacking energy: -548.039 Base-Backbone interact. energy: -0.272 local terms energy: -595.549766 where: bonds (distance) C4'-P energy: -108.503 bonds (distance) P-C4' energy: -118.592 flat angles C4'-P-C4' energy: -130.783 flat angles P-C4'-P energy: -81.424 tors. eta vs tors. theta energy: -156.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1566.199390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.199390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.199390 (E_RNA) where: Base-Base interactions energy: -1066.496 where: short stacking energy: -454.121 Base-Backbone interact. energy: -1.254 local terms energy: -498.449756 where: bonds (distance) C4'-P energy: -86.372 bonds (distance) P-C4' energy: -98.521 flat angles C4'-P-C4' energy: -121.228 flat angles P-C4'-P energy: -79.215 tors. eta vs tors. theta energy: -113.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1438.617777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.617777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.617777 (E_RNA) where: Base-Base interactions energy: -934.277 where: short stacking energy: -423.266 Base-Backbone interact. energy: -2.015 local terms energy: -502.325757 where: bonds (distance) C4'-P energy: -125.714 bonds (distance) P-C4' energy: -110.117 flat angles C4'-P-C4' energy: -114.270 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -92.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1340.635062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.635062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.635062 (E_RNA) where: Base-Base interactions energy: -888.050 where: short stacking energy: -396.608 Base-Backbone interact. energy: -3.422 local terms energy: -449.163536 where: bonds (distance) C4'-P energy: -99.355 bonds (distance) P-C4' energy: -123.576 flat angles C4'-P-C4' energy: -100.206 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -69.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2608.674465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.674465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.674465 (E_RNA) where: Base-Base interactions energy: -1843.118 where: short stacking energy: -745.640 Base-Backbone interact. energy: -1.939 local terms energy: -763.618142 where: bonds (distance) C4'-P energy: -128.571 bonds (distance) P-C4' energy: -136.615 flat angles C4'-P-C4' energy: -163.473 flat angles P-C4'-P energy: -107.018 tors. eta vs tors. theta energy: -227.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2491.970875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.970875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.970875 (E_RNA) where: Base-Base interactions energy: -1757.796 where: short stacking energy: -726.224 Base-Backbone interact. energy: -3.575 local terms energy: -730.599413 where: bonds (distance) C4'-P energy: -133.471 bonds (distance) P-C4' energy: -137.364 flat angles C4'-P-C4' energy: -149.161 flat angles P-C4'-P energy: -105.238 tors. eta vs tors. theta energy: -205.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2362.269037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.269037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.269037 (E_RNA) where: Base-Base interactions energy: -1663.656 where: short stacking energy: -695.939 Base-Backbone interact. energy: 1.327 local terms energy: -699.940348 where: bonds (distance) C4'-P energy: -131.784 bonds (distance) P-C4' energy: -128.831 flat angles C4'-P-C4' energy: -140.615 flat angles P-C4'-P energy: -92.211 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: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2249.058660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.058660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.058660 (E_RNA) where: Base-Base interactions energy: -1568.253 where: short stacking energy: -668.730 Base-Backbone interact. energy: 0.387 local terms energy: -681.192821 where: bonds (distance) C4'-P energy: -121.514 bonds (distance) P-C4' energy: -124.170 flat angles C4'-P-C4' energy: -151.102 flat angles P-C4'-P energy: -95.823 tors. eta vs tors. theta energy: -188.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2161.358712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.358712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.358712 (E_RNA) where: Base-Base interactions energy: -1522.435 where: short stacking energy: -630.237 Base-Backbone interact. energy: 2.819 local terms energy: -641.742945 where: bonds (distance) C4'-P energy: -132.145 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -131.296 flat angles P-C4'-P energy: -80.229 tors. eta vs tors. theta energy: -192.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2061.436907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.436907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.436907 (E_RNA) where: Base-Base interactions energy: -1427.256 where: short stacking energy: -582.637 Base-Backbone interact. energy: -1.648 local terms energy: -632.533835 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -126.183 flat angles C4'-P-C4' energy: -140.858 flat angles P-C4'-P energy: -97.793 tors. eta vs tors. theta energy: -156.333 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: 7, replica: 2 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1932.956203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.956203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.956203 (E_RNA) where: Base-Base interactions energy: -1323.419 where: short stacking energy: -577.452 Base-Backbone interact. energy: -1.976 local terms energy: -607.560930 where: bonds (distance) C4'-P energy: -113.900 bonds (distance) P-C4' energy: -121.184 flat angles C4'-P-C4' energy: -134.473 flat angles P-C4'-P energy: -81.940 tors. eta vs tors. theta energy: -156.063 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: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1534.710255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.710255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.710255 (E_RNA) where: Base-Base interactions energy: -1031.495 where: short stacking energy: -442.231 Base-Backbone interact. energy: -1.474 local terms energy: -501.740682 where: bonds (distance) C4'-P energy: -112.660 bonds (distance) P-C4' energy: -105.214 flat angles C4'-P-C4' energy: -108.907 flat angles P-C4'-P energy: -75.616 tors. eta vs tors. theta energy: -99.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1435.057483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.057483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.057483 (E_RNA) where: Base-Base interactions energy: -940.504 where: short stacking energy: -404.581 Base-Backbone interact. energy: 0.510 local terms energy: -495.064047 where: bonds (distance) C4'-P energy: -113.653 bonds (distance) P-C4' energy: -98.875 flat angles C4'-P-C4' energy: -121.612 flat angles P-C4'-P energy: -77.286 tors. eta vs tors. theta energy: -83.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1272.893751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.893751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.893751 (E_RNA) where: Base-Base interactions energy: -860.483 where: short stacking energy: -373.167 Base-Backbone interact. energy: 0.636 local terms energy: -413.047633 where: bonds (distance) C4'-P energy: -108.504 bonds (distance) P-C4' energy: -94.829 flat angles C4'-P-C4' energy: -105.912 flat angles P-C4'-P energy: -42.158 tors. eta vs tors. theta energy: -61.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2595.060994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.060994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.060994 (E_RNA) where: Base-Base interactions energy: -1846.038 where: short stacking energy: -740.531 Base-Backbone interact. energy: -1.888 local terms energy: -747.135268 where: bonds (distance) C4'-P energy: -129.285 bonds (distance) P-C4' energy: -121.950 flat angles C4'-P-C4' energy: -155.895 flat angles P-C4'-P energy: -111.386 tors. eta vs tors. theta energy: -228.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2508.398648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.398648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.398648 (E_RNA) where: Base-Base interactions energy: -1783.752 where: short stacking energy: -721.955 Base-Backbone interact. energy: -1.799 local terms energy: -722.847891 where: bonds (distance) C4'-P energy: -124.153 bonds (distance) P-C4' energy: -126.349 flat angles C4'-P-C4' energy: -155.624 flat angles P-C4'-P energy: -105.658 tors. eta vs tors. theta energy: -211.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2300.931217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.931217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.931217 (E_RNA) where: Base-Base interactions energy: -1600.085 where: short stacking energy: -674.772 Base-Backbone interact. energy: -2.543 local terms energy: -698.303114 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -125.858 flat angles C4'-P-C4' energy: -156.498 flat angles P-C4'-P energy: -99.026 tors. eta vs tors. theta energy: -199.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2299.104298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.104298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.104298 (E_RNA) where: Base-Base interactions energy: -1621.986 where: short stacking energy: -672.749 Base-Backbone interact. energy: -0.831 local terms energy: -676.286905 where: bonds (distance) C4'-P energy: -121.414 bonds (distance) P-C4' energy: -114.693 flat angles C4'-P-C4' energy: -141.566 flat angles P-C4'-P energy: -103.884 tors. eta vs tors. theta energy: -194.730 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: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2126.881965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.881965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.881965 (E_RNA) where: Base-Base interactions energy: -1462.579 where: short stacking energy: -611.379 Base-Backbone interact. energy: -4.690 local terms energy: -659.613003 where: bonds (distance) C4'-P energy: -125.755 bonds (distance) P-C4' energy: -111.869 flat angles C4'-P-C4' energy: -139.782 flat angles P-C4'-P energy: -97.263 tors. eta vs tors. theta energy: -184.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2095.297300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.297300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.297300 (E_RNA) where: Base-Base interactions energy: -1482.666 where: short stacking energy: -611.154 Base-Backbone interact. energy: -0.535 local terms energy: -612.096255 where: bonds (distance) C4'-P energy: -105.442 bonds (distance) P-C4' energy: -130.292 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -91.702 tors. eta vs tors. theta energy: -171.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -2006.287208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.287208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.287208 (E_RNA) where: Base-Base interactions energy: -1387.665 where: short stacking energy: -587.503 Base-Backbone interact. energy: 1.165 local terms energy: -619.786613 where: bonds (distance) C4'-P energy: -112.915 bonds (distance) P-C4' energy: -113.771 flat angles C4'-P-C4' energy: -136.128 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -168.778 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: 8, replica: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1586.502218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.502218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.502218 (E_RNA) where: Base-Base interactions energy: -1082.271 where: short stacking energy: -467.317 Base-Backbone interact. energy: 9.051 local terms energy: -513.282750 where: bonds (distance) C4'-P energy: -106.991 bonds (distance) P-C4' energy: -102.118 flat angles C4'-P-C4' energy: -109.381 flat angles P-C4'-P energy: -87.594 tors. eta vs tors. theta energy: -107.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1397.990489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.990489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.990489 (E_RNA) where: Base-Base interactions energy: -903.403 where: short stacking energy: -397.712 Base-Backbone interact. energy: 1.307 local terms energy: -495.894347 where: bonds (distance) C4'-P energy: -108.613 bonds (distance) P-C4' energy: -114.711 flat angles C4'-P-C4' energy: -102.838 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -99.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1276.348716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.348716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.348716 (E_RNA) where: Base-Base interactions energy: -816.038 where: short stacking energy: -366.016 Base-Backbone interact. energy: 1.578 local terms energy: -461.888561 where: bonds (distance) C4'-P energy: -97.309 bonds (distance) P-C4' energy: -97.922 flat angles C4'-P-C4' energy: -117.092 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -75.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2577.715511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.715511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.715511 (E_RNA) where: Base-Base interactions energy: -1845.519 where: short stacking energy: -751.112 Base-Backbone interact. energy: -4.436 local terms energy: -727.760684 where: bonds (distance) C4'-P energy: -116.796 bonds (distance) P-C4' energy: -116.956 flat angles C4'-P-C4' energy: -152.398 flat angles P-C4'-P energy: -107.130 tors. eta vs tors. theta energy: -234.480 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: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2492.101467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.101467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.101467 (E_RNA) where: Base-Base interactions energy: -1744.158 where: short stacking energy: -730.454 Base-Backbone interact. energy: -3.688 local terms energy: -744.256239 where: bonds (distance) C4'-P energy: -132.701 bonds (distance) P-C4' energy: -150.811 flat angles C4'-P-C4' energy: -150.714 flat angles P-C4'-P energy: -100.766 tors. eta vs tors. theta energy: -209.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2273.798357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.798357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.798357 (E_RNA) where: Base-Base interactions energy: -1609.841 where: short stacking energy: -672.240 Base-Backbone interact. energy: -3.438 local terms energy: -660.519301 where: bonds (distance) C4'-P energy: -109.851 bonds (distance) P-C4' energy: -129.374 flat angles C4'-P-C4' energy: -134.759 flat angles P-C4'-P energy: -92.813 tors. eta vs tors. theta energy: -193.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2278.252529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.252529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.252529 (E_RNA) where: Base-Base interactions energy: -1582.750 where: short stacking energy: -669.807 Base-Backbone interact. energy: -1.675 local terms energy: -693.827796 where: bonds (distance) C4'-P energy: -127.957 bonds (distance) P-C4' energy: -120.864 flat angles C4'-P-C4' energy: -148.504 flat angles P-C4'-P energy: -81.252 tors. eta vs tors. theta energy: -215.250 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: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2112.616439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.616439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.616439 (E_RNA) where: Base-Base interactions energy: -1460.161 where: short stacking energy: -608.929 Base-Backbone interact. energy: -2.581 local terms energy: -649.874172 where: bonds (distance) C4'-P energy: -124.074 bonds (distance) P-C4' energy: -110.814 flat angles C4'-P-C4' energy: -129.275 flat angles P-C4'-P energy: -94.732 tors. eta vs tors. theta energy: -190.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2144.721013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.721013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.721013 (E_RNA) where: Base-Base interactions energy: -1505.919 where: short stacking energy: -615.936 Base-Backbone interact. energy: -1.855 local terms energy: -636.947542 where: bonds (distance) C4'-P energy: -132.383 bonds (distance) P-C4' energy: -118.283 flat angles C4'-P-C4' energy: -125.574 flat angles P-C4'-P energy: -82.659 tors. eta vs tors. theta energy: -178.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1928.303418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.303418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.303418 (E_RNA) where: Base-Base interactions energy: -1378.159 where: short stacking energy: -579.908 Base-Backbone interact. energy: 8.907 local terms energy: -559.052029 where: bonds (distance) C4'-P energy: -110.323 bonds (distance) P-C4' energy: -101.792 flat angles C4'-P-C4' energy: -124.200 flat angles P-C4'-P energy: -65.072 tors. eta vs tors. theta energy: -157.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1595.297732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.297732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.297732 (E_RNA) where: Base-Base interactions energy: -1115.270 where: short stacking energy: -478.330 Base-Backbone interact. energy: 0.376 local terms energy: -480.403429 where: bonds (distance) C4'-P energy: -80.263 bonds (distance) P-C4' energy: -104.484 flat angles C4'-P-C4' energy: -121.755 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -111.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1407.722860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.722860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.722860 (E_RNA) where: Base-Base interactions energy: -949.128 where: short stacking energy: -386.737 Base-Backbone interact. energy: -3.663 local terms energy: -454.931454 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -90.570 flat angles C4'-P-C4' energy: -103.176 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -83.012 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: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1272.847303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.847303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.847303 (E_RNA) where: Base-Base interactions energy: -819.045 where: short stacking energy: -382.839 Base-Backbone interact. energy: -2.907 local terms energy: -450.895103 where: bonds (distance) C4'-P energy: -106.282 bonds (distance) P-C4' energy: -100.855 flat angles C4'-P-C4' energy: -107.078 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -81.303 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: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2606.229831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.229831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.229831 (E_RNA) where: Base-Base interactions energy: -1833.339 where: short stacking energy: -741.537 Base-Backbone interact. energy: 1.323 local terms energy: -774.214353 where: bonds (distance) C4'-P energy: -147.477 bonds (distance) P-C4' energy: -136.185 flat angles C4'-P-C4' energy: -151.072 flat angles P-C4'-P energy: -110.862 tors. eta vs tors. theta energy: -228.618 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: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2486.677657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.677657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.677657 (E_RNA) where: Base-Base interactions energy: -1749.125 where: short stacking energy: -719.064 Base-Backbone interact. energy: 1.512 local terms energy: -739.064972 where: bonds (distance) C4'-P energy: -135.699 bonds (distance) P-C4' energy: -129.885 flat angles C4'-P-C4' energy: -154.407 flat angles P-C4'-P energy: -103.545 tors. eta vs tors. theta energy: -215.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2345.635734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.635734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.635734 (E_RNA) where: Base-Base interactions energy: -1632.408 where: short stacking energy: -696.565 Base-Backbone interact. energy: -2.623 local terms energy: -710.605173 where: bonds (distance) C4'-P energy: -115.042 bonds (distance) P-C4' energy: -142.085 flat angles C4'-P-C4' energy: -150.921 flat angles P-C4'-P energy: -95.773 tors. eta vs tors. theta energy: -206.785 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: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2235.974616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.974616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.974616 (E_RNA) where: Base-Base interactions energy: -1576.988 where: short stacking energy: -640.237 Base-Backbone interact. energy: -4.593 local terms energy: -654.393966 where: bonds (distance) C4'-P energy: -127.830 bonds (distance) P-C4' energy: -113.243 flat angles C4'-P-C4' energy: -144.974 flat angles P-C4'-P energy: -96.237 tors. eta vs tors. theta energy: -172.110 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: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2230.283733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.283733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.283733 (E_RNA) where: Base-Base interactions energy: -1567.180 where: short stacking energy: -623.960 Base-Backbone interact. energy: -2.971 local terms energy: -660.132836 where: bonds (distance) C4'-P energy: -113.715 bonds (distance) P-C4' energy: -121.533 flat angles C4'-P-C4' energy: -147.437 flat angles P-C4'-P energy: -95.567 tors. eta vs tors. theta energy: -181.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2057.410946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.410946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.410946 (E_RNA) where: Base-Base interactions energy: -1435.209 where: short stacking energy: -617.586 Base-Backbone interact. energy: -1.336 local terms energy: -620.866298 where: bonds (distance) C4'-P energy: -104.375 bonds (distance) P-C4' energy: -119.936 flat angles C4'-P-C4' energy: -134.469 flat angles P-C4'-P energy: -93.072 tors. eta vs tors. theta energy: -169.015 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: 2 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1949.017910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.017910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.017910 (E_RNA) where: Base-Base interactions energy: -1321.280 where: short stacking energy: -563.022 Base-Backbone interact. energy: -3.227 local terms energy: -624.510656 where: bonds (distance) C4'-P energy: -101.693 bonds (distance) P-C4' energy: -123.466 flat angles C4'-P-C4' energy: -132.961 flat angles P-C4'-P energy: -99.744 tors. eta vs tors. theta energy: -166.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1630.678101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.678101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.678101 (E_RNA) where: Base-Base interactions energy: -1105.384 where: short stacking energy: -466.800 Base-Backbone interact. energy: -3.764 local terms energy: -521.529683 where: bonds (distance) C4'-P energy: -88.858 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -135.897 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -120.769 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: 58 Temperature: 1.300000 Total energy: -1389.960055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.960055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.960055 (E_RNA) where: Base-Base interactions energy: -899.623 where: short stacking energy: -394.938 Base-Backbone interact. energy: -2.135 local terms energy: -488.202826 where: bonds (distance) C4'-P energy: -90.466 bonds (distance) P-C4' energy: -101.902 flat angles C4'-P-C4' energy: -126.379 flat angles P-C4'-P energy: -86.168 tors. eta vs tors. theta energy: -83.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1282.063441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.063441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.063441 (E_RNA) where: Base-Base interactions energy: -845.994 where: short stacking energy: -363.989 Base-Backbone interact. energy: 5.154 local terms energy: -441.222755 where: bonds (distance) C4'-P energy: -117.233 bonds (distance) P-C4' energy: -105.465 flat angles C4'-P-C4' energy: -103.167 flat angles P-C4'-P energy: -57.800 tors. eta vs tors. theta energy: -57.557 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: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2607.158556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.158556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.158556 (E_RNA) where: Base-Base interactions energy: -1842.360 where: short stacking energy: -736.460 Base-Backbone interact. energy: -5.169 local terms energy: -759.629556 where: bonds (distance) C4'-P energy: -123.861 bonds (distance) P-C4' energy: -147.083 flat angles C4'-P-C4' energy: -158.122 flat angles P-C4'-P energy: -109.490 tors. eta vs tors. theta energy: -221.073 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: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2472.998725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.998725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.998725 (E_RNA) where: Base-Base interactions energy: -1753.358 where: short stacking energy: -728.975 Base-Backbone interact. energy: -2.154 local terms energy: -717.487500 where: bonds (distance) C4'-P energy: -115.569 bonds (distance) P-C4' energy: -134.462 flat angles C4'-P-C4' energy: -159.625 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -216.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2330.943773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.943773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.943773 (E_RNA) where: Base-Base interactions energy: -1644.594 where: short stacking energy: -693.363 Base-Backbone interact. energy: -3.776 local terms energy: -682.573655 where: bonds (distance) C4'-P energy: -119.926 bonds (distance) P-C4' energy: -120.062 flat angles C4'-P-C4' energy: -149.601 flat angles P-C4'-P energy: -100.379 tors. eta vs tors. theta energy: -192.604 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: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2239.312568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.312568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.312568 (E_RNA) where: Base-Base interactions energy: -1555.160 where: short stacking energy: -641.725 Base-Backbone interact. energy: -2.360 local terms energy: -681.792502 where: bonds (distance) C4'-P energy: -121.221 bonds (distance) P-C4' energy: -130.510 flat angles C4'-P-C4' energy: -147.531 flat angles P-C4'-P energy: -106.873 tors. eta vs tors. theta energy: -175.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2133.623930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.623930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.623930 (E_RNA) where: Base-Base interactions energy: -1503.689 where: short stacking energy: -622.337 Base-Backbone interact. energy: -2.645 local terms energy: -627.289994 where: bonds (distance) C4'-P energy: -109.628 bonds (distance) P-C4' energy: -130.408 flat angles C4'-P-C4' energy: -130.664 flat angles P-C4'-P energy: -89.788 tors. eta vs tors. theta energy: -166.802 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: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2002.527170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.527170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.527170 (E_RNA) where: Base-Base interactions energy: -1387.347 where: short stacking energy: -580.565 Base-Backbone interact. energy: -1.637 local terms energy: -613.542505 where: bonds (distance) C4'-P energy: -112.361 bonds (distance) P-C4' energy: -107.598 flat angles C4'-P-C4' energy: -130.943 flat angles P-C4'-P energy: -87.762 tors. eta vs tors. theta energy: -174.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1841.205539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.205539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.205539 (E_RNA) where: Base-Base interactions energy: -1260.905 where: short stacking energy: -528.782 Base-Backbone interact. energy: -3.018 local terms energy: -577.282432 where: bonds (distance) C4'-P energy: -108.428 bonds (distance) P-C4' energy: -113.858 flat angles C4'-P-C4' energy: -129.132 flat angles P-C4'-P energy: -77.651 tors. eta vs tors. theta energy: -148.214 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: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1493.735420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.735420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.735420 (E_RNA) where: Base-Base interactions energy: -988.368 where: short stacking energy: -432.824 Base-Backbone interact. energy: -3.978 local terms energy: -501.389302 where: bonds (distance) C4'-P energy: -95.091 bonds (distance) P-C4' energy: -114.741 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -73.015 tors. eta vs tors. theta energy: -103.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1393.013798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.013798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.013798 (E_RNA) where: Base-Base interactions energy: -914.327 where: short stacking energy: -378.388 Base-Backbone interact. energy: 0.609 local terms energy: -479.295473 where: bonds (distance) C4'-P energy: -113.148 bonds (distance) P-C4' energy: -121.906 flat angles C4'-P-C4' energy: -126.128 flat angles P-C4'-P energy: -59.344 tors. eta vs tors. theta energy: -58.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1252.730122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.730122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.730122 (E_RNA) where: Base-Base interactions energy: -801.278 where: short stacking energy: -352.106 Base-Backbone interact. energy: 1.286 local terms energy: -452.738666 where: bonds (distance) C4'-P energy: -107.315 bonds (distance) P-C4' energy: -109.148 flat angles C4'-P-C4' energy: -93.973 flat angles P-C4'-P energy: -74.254 tors. eta vs tors. theta energy: -68.049 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: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2600.240868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.240868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.240868 (E_RNA) where: Base-Base interactions energy: -1852.506 where: short stacking energy: -748.364 Base-Backbone interact. energy: 0.728 local terms energy: -748.462660 where: bonds (distance) C4'-P energy: -124.118 bonds (distance) P-C4' energy: -135.604 flat angles C4'-P-C4' energy: -155.305 flat angles P-C4'-P energy: -107.519 tors. eta vs tors. theta energy: -225.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2491.436450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.436450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.436450 (E_RNA) where: Base-Base interactions energy: -1773.501 where: short stacking energy: -744.016 Base-Backbone interact. energy: 2.638 local terms energy: -720.573376 where: bonds (distance) C4'-P energy: -132.961 bonds (distance) P-C4' energy: -107.111 flat angles C4'-P-C4' energy: -155.660 flat angles P-C4'-P energy: -113.144 tors. eta vs tors. theta energy: -211.697 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: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2325.937841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.937841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.937841 (E_RNA) where: Base-Base interactions energy: -1603.555 where: short stacking energy: -665.279 Base-Backbone interact. energy: -6.786 local terms energy: -715.596042 where: bonds (distance) C4'-P energy: -121.590 bonds (distance) P-C4' energy: -140.161 flat angles C4'-P-C4' energy: -155.817 flat angles P-C4'-P energy: -99.565 tors. eta vs tors. theta energy: -198.464 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: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2153.537392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.537392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.537392 (E_RNA) where: Base-Base interactions energy: -1461.890 where: short stacking energy: -608.900 Base-Backbone interact. energy: -1.613 local terms energy: -690.035210 where: bonds (distance) C4'-P energy: -140.022 bonds (distance) P-C4' energy: -130.229 flat angles C4'-P-C4' energy: -143.971 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -183.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2136.746972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.746972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.746972 (E_RNA) where: Base-Base interactions energy: -1519.228 where: short stacking energy: -617.466 Base-Backbone interact. energy: -0.887 local terms energy: -616.631933 where: bonds (distance) C4'-P energy: -115.515 bonds (distance) P-C4' energy: -120.974 flat angles C4'-P-C4' energy: -143.480 flat angles P-C4'-P energy: -76.323 tors. eta vs tors. theta energy: -160.341 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: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2008.635612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.635612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.635612 (E_RNA) where: Base-Base interactions energy: -1406.771 where: short stacking energy: -592.787 Base-Backbone interact. energy: -0.715 local terms energy: -601.149870 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -119.927 flat angles C4'-P-C4' energy: -117.977 flat angles P-C4'-P energy: -89.761 tors. eta vs tors. theta energy: -157.310 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: 60 Temperature: 1.200000 Total energy: -1808.747116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.747116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.747116 (E_RNA) where: Base-Base interactions energy: -1215.498 where: short stacking energy: -506.953 Base-Backbone interact. energy: -0.766 local terms energy: -592.483233 where: bonds (distance) C4'-P energy: -113.618 bonds (distance) P-C4' energy: -112.853 flat angles C4'-P-C4' energy: -140.940 flat angles P-C4'-P energy: -87.386 tors. eta vs tors. theta energy: -137.686 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: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1582.291190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.291190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.291190 (E_RNA) where: Base-Base interactions energy: -1071.512 where: short stacking energy: -472.689 Base-Backbone interact. energy: -1.802 local terms energy: -508.977043 where: bonds (distance) C4'-P energy: -94.606 bonds (distance) P-C4' energy: -114.365 flat angles C4'-P-C4' energy: -114.905 flat angles P-C4'-P energy: -56.138 tors. eta vs tors. theta energy: -128.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1476.487682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.487682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.487682 (E_RNA) where: Base-Base interactions energy: -970.726 where: short stacking energy: -395.445 Base-Backbone interact. energy: 4.399 local terms energy: -510.161078 where: bonds (distance) C4'-P energy: -97.948 bonds (distance) P-C4' energy: -123.664 flat angles C4'-P-C4' energy: -120.149 flat angles P-C4'-P energy: -82.527 tors. eta vs tors. theta energy: -85.873 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: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1213.634049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.634049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.634049 (E_RNA) where: Base-Base interactions energy: -776.374 where: short stacking energy: -364.081 Base-Backbone interact. energy: -1.551 local terms energy: -435.709215 where: bonds (distance) C4'-P energy: -97.922 bonds (distance) P-C4' energy: -98.176 flat angles C4'-P-C4' energy: -105.860 flat angles P-C4'-P energy: -66.520 tors. eta vs tors. theta energy: -67.230 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: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2612.526679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.526679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.526679 (E_RNA) where: Base-Base interactions energy: -1833.486 where: short stacking energy: -757.645 Base-Backbone interact. energy: 0.544 local terms energy: -779.584572 where: bonds (distance) C4'-P energy: -132.103 bonds (distance) P-C4' energy: -134.230 flat angles C4'-P-C4' energy: -170.284 flat angles P-C4'-P energy: -116.220 tors. eta vs tors. theta energy: -226.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2505.519384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.519384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.519384 (E_RNA) where: Base-Base interactions energy: -1755.863 where: short stacking energy: -723.799 Base-Backbone interact. energy: -1.469 local terms energy: -748.188110 where: bonds (distance) C4'-P energy: -143.563 bonds (distance) P-C4' energy: -132.821 flat angles C4'-P-C4' energy: -156.960 flat angles P-C4'-P energy: -103.552 tors. eta vs tors. theta energy: -211.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2328.376243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.376243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.376243 (E_RNA) where: Base-Base interactions energy: -1621.762 where: short stacking energy: -681.057 Base-Backbone interact. energy: -1.470 local terms energy: -705.144942 where: bonds (distance) C4'-P energy: -127.262 bonds (distance) P-C4' energy: -140.074 flat angles C4'-P-C4' energy: -132.311 flat angles P-C4'-P energy: -110.577 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: 61 Temperature: 1.050000 Total energy: -2207.525316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.525316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.525316 (E_RNA) where: Base-Base interactions energy: -1511.380 where: short stacking energy: -662.949 Base-Backbone interact. energy: -2.250 local terms energy: -693.894813 where: bonds (distance) C4'-P energy: -124.454 bonds (distance) P-C4' energy: -124.654 flat angles C4'-P-C4' energy: -153.799 flat angles P-C4'-P energy: -104.764 tors. eta vs tors. theta energy: -186.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2109.058738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.058738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.058738 (E_RNA) where: Base-Base interactions energy: -1470.670 where: short stacking energy: -606.788 Base-Backbone interact. energy: -1.947 local terms energy: -636.441865 where: bonds (distance) C4'-P energy: -114.165 bonds (distance) P-C4' energy: -122.031 flat angles C4'-P-C4' energy: -136.722 flat angles P-C4'-P energy: -90.839 tors. eta vs tors. theta energy: -172.685 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: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1982.304897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.304897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.304897 (E_RNA) where: Base-Base interactions energy: -1362.524 where: short stacking energy: -597.774 Base-Backbone interact. energy: 0.374 local terms energy: -620.154843 where: bonds (distance) C4'-P energy: -127.406 bonds (distance) P-C4' energy: -116.567 flat angles C4'-P-C4' energy: -125.329 flat angles P-C4'-P energy: -85.422 tors. eta vs tors. theta energy: -165.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1827.988074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.988074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.988074 (E_RNA) where: Base-Base interactions energy: -1267.932 where: short stacking energy: -537.341 Base-Backbone interact. energy: -3.954 local terms energy: -556.102181 where: bonds (distance) C4'-P energy: -107.168 bonds (distance) P-C4' energy: -109.676 flat angles C4'-P-C4' energy: -126.737 flat angles P-C4'-P energy: -77.140 tors. eta vs tors. theta energy: -135.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1596.806331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.806331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.806331 (E_RNA) where: Base-Base interactions energy: -1028.682 where: short stacking energy: -444.046 Base-Backbone interact. energy: 2.512 local terms energy: -570.636522 where: bonds (distance) C4'-P energy: -111.060 bonds (distance) P-C4' energy: -118.068 flat angles C4'-P-C4' energy: -141.366 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: -111.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1492.214612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.214612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.214612 (E_RNA) where: Base-Base interactions energy: -980.331 where: short stacking energy: -433.486 Base-Backbone interact. energy: -1.585 local terms energy: -510.298861 where: bonds (distance) C4'-P energy: -89.616 bonds (distance) P-C4' energy: -111.083 flat angles C4'-P-C4' energy: -123.669 flat angles P-C4'-P energy: -83.419 tors. eta vs tors. theta energy: -102.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1194.199213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.199213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.199213 (E_RNA) where: Base-Base interactions energy: -764.451 where: short stacking energy: -345.378 Base-Backbone interact. energy: 0.600 local terms energy: -430.348831 where: bonds (distance) C4'-P energy: -111.453 bonds (distance) P-C4' energy: -91.010 flat angles C4'-P-C4' energy: -119.350 flat angles P-C4'-P energy: -59.216 tors. eta vs tors. theta energy: -49.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2620.993472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.993472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.993472 (E_RNA) where: Base-Base interactions energy: -1840.970 where: short stacking energy: -748.853 Base-Backbone interact. energy: -3.032 local terms energy: -776.991324 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -148.630 flat angles C4'-P-C4' energy: -159.137 flat angles P-C4'-P energy: -116.469 tors. eta vs tors. theta energy: -230.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2459.205530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.205530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.205530 (E_RNA) where: Base-Base interactions energy: -1731.304 where: short stacking energy: -701.261 Base-Backbone interact. energy: 0.545 local terms energy: -728.446388 where: bonds (distance) C4'-P energy: -140.304 bonds (distance) P-C4' energy: -136.066 flat angles C4'-P-C4' energy: -149.940 flat angles P-C4'-P energy: -103.772 tors. eta vs tors. theta energy: -198.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2335.457603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.457603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.457603 (E_RNA) where: Base-Base interactions energy: -1652.508 where: short stacking energy: -682.358 Base-Backbone interact. energy: -1.064 local terms energy: -681.885861 where: bonds (distance) C4'-P energy: -112.058 bonds (distance) P-C4' energy: -129.383 flat angles C4'-P-C4' energy: -139.468 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -192.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2177.059838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.059838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.059838 (E_RNA) where: Base-Base interactions energy: -1518.151 where: short stacking energy: -637.223 Base-Backbone interact. energy: -3.247 local terms energy: -655.661032 where: bonds (distance) C4'-P energy: -117.303 bonds (distance) P-C4' energy: -121.056 flat angles C4'-P-C4' energy: -149.442 flat angles P-C4'-P energy: -84.331 tors. eta vs tors. theta energy: -183.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2147.510778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.510778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.510778 (E_RNA) where: Base-Base interactions energy: -1512.281 where: short stacking energy: -619.047 Base-Backbone interact. energy: -3.277 local terms energy: -631.952116 where: bonds (distance) C4'-P energy: -110.454 bonds (distance) P-C4' energy: -107.554 flat angles C4'-P-C4' energy: -137.222 flat angles P-C4'-P energy: -92.497 tors. eta vs tors. theta energy: -184.224 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: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1963.594791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.594791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.594791 (E_RNA) where: Base-Base interactions energy: -1360.160 where: short stacking energy: -555.526 Base-Backbone interact. energy: -0.346 local terms energy: -603.088405 where: bonds (distance) C4'-P energy: -102.399 bonds (distance) P-C4' energy: -130.871 flat angles C4'-P-C4' energy: -130.756 flat angles P-C4'-P energy: -90.074 tors. eta vs tors. theta energy: -148.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1845.578664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.578664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.578664 (E_RNA) where: Base-Base interactions energy: -1262.569 where: short stacking energy: -531.726 Base-Backbone interact. energy: -1.639 local terms energy: -581.370466 where: bonds (distance) C4'-P energy: -115.487 bonds (distance) P-C4' energy: -119.872 flat angles C4'-P-C4' energy: -127.262 flat angles P-C4'-P energy: -71.387 tors. eta vs tors. theta energy: -147.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1565.600219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.600219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.600219 (E_RNA) where: Base-Base interactions energy: -1056.902 where: short stacking energy: -446.960 Base-Backbone interact. energy: 0.715 local terms energy: -509.413868 where: bonds (distance) C4'-P energy: -103.114 bonds (distance) P-C4' energy: -105.915 flat angles C4'-P-C4' energy: -135.684 flat angles P-C4'-P energy: -62.288 tors. eta vs tors. theta energy: -102.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1449.075302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.075302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.075302 (E_RNA) where: Base-Base interactions energy: -959.380 where: short stacking energy: -432.124 Base-Backbone interact. energy: -1.742 local terms energy: -487.952638 where: bonds (distance) C4'-P energy: -107.283 bonds (distance) P-C4' energy: -109.252 flat angles C4'-P-C4' energy: -109.583 flat angles P-C4'-P energy: -67.633 tors. eta vs tors. theta energy: -94.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1258.924066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.924066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.924066 (E_RNA) where: Base-Base interactions energy: -805.928 where: short stacking energy: -344.287 Base-Backbone interact. energy: 3.998 local terms energy: -456.994112 where: bonds (distance) C4'-P energy: -117.077 bonds (distance) P-C4' energy: -112.951 flat angles C4'-P-C4' energy: -104.727 flat angles P-C4'-P energy: -68.505 tors. eta vs tors. theta energy: -53.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2602.541344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.541344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.541344 (E_RNA) where: Base-Base interactions energy: -1837.390 where: short stacking energy: -755.495 Base-Backbone interact. energy: -2.970 local terms energy: -762.180863 where: bonds (distance) C4'-P energy: -138.715 bonds (distance) P-C4' energy: -144.467 flat angles C4'-P-C4' energy: -145.597 flat angles P-C4'-P energy: -107.042 tors. eta vs tors. theta energy: -226.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2477.431104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.431104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.431104 (E_RNA) where: Base-Base interactions energy: -1733.769 where: short stacking energy: -706.752 Base-Backbone interact. energy: -2.945 local terms energy: -740.716462 where: bonds (distance) C4'-P energy: -131.140 bonds (distance) P-C4' energy: -128.002 flat angles C4'-P-C4' energy: -158.448 flat angles P-C4'-P energy: -106.970 tors. eta vs tors. theta energy: -216.156 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: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2340.470330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.470330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.470330 (E_RNA) where: Base-Base interactions energy: -1668.167 where: short stacking energy: -680.322 Base-Backbone interact. energy: -1.312 local terms energy: -670.990945 where: bonds (distance) C4'-P energy: -125.648 bonds (distance) P-C4' energy: -104.766 flat angles C4'-P-C4' energy: -141.350 flat angles P-C4'-P energy: -100.049 tors. eta vs tors. theta energy: -199.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2255.135842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.135842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.135842 (E_RNA) where: Base-Base interactions energy: -1613.733 where: short stacking energy: -623.882 Base-Backbone interact. energy: -1.203 local terms energy: -640.200387 where: bonds (distance) C4'-P energy: -105.564 bonds (distance) P-C4' energy: -118.456 flat angles C4'-P-C4' energy: -152.292 flat angles P-C4'-P energy: -86.306 tors. eta vs tors. theta energy: -177.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2121.626836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.626836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.626836 (E_RNA) where: Base-Base interactions energy: -1480.855 where: short stacking energy: -670.111 Base-Backbone interact. energy: -1.388 local terms energy: -639.384031 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -117.536 flat angles C4'-P-C4' energy: -144.745 flat angles P-C4'-P energy: -92.828 tors. eta vs tors. theta energy: -176.295 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: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2051.275426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.275426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.275426 (E_RNA) where: Base-Base interactions energy: -1420.444 where: short stacking energy: -589.695 Base-Backbone interact. energy: -4.726 local terms energy: -626.104995 where: bonds (distance) C4'-P energy: -118.409 bonds (distance) P-C4' energy: -119.359 flat angles C4'-P-C4' energy: -139.095 flat angles P-C4'-P energy: -91.840 tors. eta vs tors. theta energy: -157.403 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: 63 Temperature: 1.200000 Total energy: -1831.953018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.953018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.953018 (E_RNA) where: Base-Base interactions energy: -1261.869 where: short stacking energy: -520.336 Base-Backbone interact. energy: 2.949 local terms energy: -573.032769 where: bonds (distance) C4'-P energy: -110.567 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -135.800 flat angles P-C4'-P energy: -73.239 tors. eta vs tors. theta energy: -138.488 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: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1508.599424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.599424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.599424 (E_RNA) where: Base-Base interactions energy: -1005.226 where: short stacking energy: -424.479 Base-Backbone interact. energy: -2.910 local terms energy: -500.463577 where: bonds (distance) C4'-P energy: -112.364 bonds (distance) P-C4' energy: -117.725 flat angles C4'-P-C4' energy: -103.847 flat angles P-C4'-P energy: -64.696 tors. eta vs tors. theta energy: -101.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1430.188335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.188335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.188335 (E_RNA) where: Base-Base interactions energy: -968.092 where: short stacking energy: -429.381 Base-Backbone interact. energy: -1.669 local terms energy: -460.428294 where: bonds (distance) C4'-P energy: -85.688 bonds (distance) P-C4' energy: -104.209 flat angles C4'-P-C4' energy: -107.533 flat angles P-C4'-P energy: -60.677 tors. eta vs tors. theta energy: -102.321 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: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1180.986084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.986084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.986084 (E_RNA) where: Base-Base interactions energy: -794.373 where: short stacking energy: -368.109 Base-Backbone interact. energy: 3.881 local terms energy: -390.493816 where: bonds (distance) C4'-P energy: -96.732 bonds (distance) P-C4' energy: -104.508 flat angles C4'-P-C4' energy: -113.597 flat angles P-C4'-P energy: -23.309 tors. eta vs tors. theta energy: -52.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2598.013758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.013758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.013758 (E_RNA) where: Base-Base interactions energy: -1837.998 where: short stacking energy: -732.189 Base-Backbone interact. energy: -0.824 local terms energy: -759.191519 where: bonds (distance) C4'-P energy: -129.460 bonds (distance) P-C4' energy: -126.624 flat angles C4'-P-C4' energy: -159.813 flat angles P-C4'-P energy: -111.606 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: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2470.471550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.471550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.471550 (E_RNA) where: Base-Base interactions energy: -1721.825 where: short stacking energy: -711.158 Base-Backbone interact. energy: 0.367 local terms energy: -749.014163 where: bonds (distance) C4'-P energy: -138.452 bonds (distance) P-C4' energy: -113.524 flat angles C4'-P-C4' energy: -162.843 flat angles P-C4'-P energy: -115.096 tors. eta vs tors. theta energy: -219.100 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: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2306.603095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.603095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.603095 (E_RNA) where: Base-Base interactions energy: -1620.279 where: short stacking energy: -667.091 Base-Backbone interact. energy: -2.935 local terms energy: -683.389441 where: bonds (distance) C4'-P energy: -120.495 bonds (distance) P-C4' energy: -120.827 flat angles C4'-P-C4' energy: -153.611 flat angles P-C4'-P energy: -95.507 tors. eta vs tors. theta energy: -192.949 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: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2243.023398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.023398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.023398 (E_RNA) where: Base-Base interactions energy: -1551.507 where: short stacking energy: -660.527 Base-Backbone interact. energy: -1.964 local terms energy: -689.551669 where: bonds (distance) C4'-P energy: -110.444 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -156.257 flat angles P-C4'-P energy: -89.570 tors. eta vs tors. theta energy: -200.575 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: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2066.923254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.923254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.923254 (E_RNA) where: Base-Base interactions energy: -1423.225 where: short stacking energy: -602.251 Base-Backbone interact. energy: -2.703 local terms energy: -640.995180 where: bonds (distance) C4'-P energy: -110.789 bonds (distance) P-C4' energy: -128.186 flat angles C4'-P-C4' energy: -150.244 flat angles P-C4'-P energy: -82.402 tors. eta vs tors. theta energy: -169.374 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: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1965.355684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.355684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.355684 (E_RNA) where: Base-Base interactions energy: -1370.773 where: short stacking energy: -571.136 Base-Backbone interact. energy: 0.522 local terms energy: -595.105271 where: bonds (distance) C4'-P energy: -101.371 bonds (distance) P-C4' energy: -116.465 flat angles C4'-P-C4' energy: -142.702 flat angles P-C4'-P energy: -70.865 tors. eta vs tors. theta energy: -163.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1784.690886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.690886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.690886 (E_RNA) where: Base-Base interactions energy: -1221.964 where: short stacking energy: -505.959 Base-Backbone interact. energy: 6.700 local terms energy: -569.426793 where: bonds (distance) C4'-P energy: -99.359 bonds (distance) P-C4' energy: -105.658 flat angles C4'-P-C4' energy: -140.417 flat angles P-C4'-P energy: -83.874 tors. eta vs tors. theta energy: -140.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1522.408603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.408603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.408603 (E_RNA) where: Base-Base interactions energy: -1010.535 where: short stacking energy: -431.470 Base-Backbone interact. energy: -3.447 local terms energy: -508.427334 where: bonds (distance) C4'-P energy: -116.144 bonds (distance) P-C4' energy: -102.666 flat angles C4'-P-C4' energy: -106.646 flat angles P-C4'-P energy: -85.820 tors. eta vs tors. theta energy: -97.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1349.045259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.045259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.045259 (E_RNA) where: Base-Base interactions energy: -832.994 where: short stacking energy: -373.071 Base-Backbone interact. energy: -1.203 local terms energy: -514.848013 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -111.698 flat angles C4'-P-C4' energy: -115.974 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -89.804 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: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1248.094053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.094053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.094053 (E_RNA) where: Base-Base interactions energy: -810.300 where: short stacking energy: -332.606 Base-Backbone interact. energy: 1.426 local terms energy: -439.220273 where: bonds (distance) C4'-P energy: -84.731 bonds (distance) P-C4' energy: -113.033 flat angles C4'-P-C4' energy: -101.993 flat angles P-C4'-P energy: -66.725 tors. eta vs tors. theta energy: -72.737 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: 1, replica: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2609.817171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.817171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.817171 (E_RNA) where: Base-Base interactions energy: -1826.175 where: short stacking energy: -746.496 Base-Backbone interact. energy: 0.574 local terms energy: -784.216062 where: bonds (distance) C4'-P energy: -129.551 bonds (distance) P-C4' energy: -148.861 flat angles C4'-P-C4' energy: -165.133 flat angles P-C4'-P energy: -114.151 tors. eta vs tors. theta energy: -226.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2486.590396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.590396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.590396 (E_RNA) where: Base-Base interactions energy: -1751.497 where: short stacking energy: -718.379 Base-Backbone interact. energy: -4.284 local terms energy: -730.809127 where: bonds (distance) C4'-P energy: -127.383 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -153.452 flat angles P-C4'-P energy: -96.934 tors. eta vs tors. theta energy: -218.340 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: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2336.703112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.703112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.703112 (E_RNA) where: Base-Base interactions energy: -1633.333 where: short stacking energy: -687.692 Base-Backbone interact. energy: -2.759 local terms energy: -700.611172 where: bonds (distance) C4'-P energy: -126.089 bonds (distance) P-C4' energy: -137.487 flat angles C4'-P-C4' energy: -139.181 flat angles P-C4'-P energy: -101.620 tors. eta vs tors. theta energy: -196.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2241.334955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.334955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.334955 (E_RNA) where: Base-Base interactions energy: -1549.975 where: short stacking energy: -634.811 Base-Backbone interact. energy: -2.947 local terms energy: -688.413181 where: bonds (distance) C4'-P energy: -132.095 bonds (distance) P-C4' energy: -117.093 flat angles C4'-P-C4' energy: -157.375 flat angles P-C4'-P energy: -92.008 tors. eta vs tors. theta energy: -189.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2074.148191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.148191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.148191 (E_RNA) where: Base-Base interactions energy: -1446.163 where: short stacking energy: -607.920 Base-Backbone interact. energy: 1.433 local terms energy: -629.418301 where: bonds (distance) C4'-P energy: -106.456 bonds (distance) P-C4' energy: -108.134 flat angles C4'-P-C4' energy: -132.663 flat angles P-C4'-P energy: -106.403 tors. eta vs tors. theta energy: -175.762 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: 6, replica: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1954.689116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.689116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.689116 (E_RNA) where: Base-Base interactions energy: -1357.300 where: short stacking energy: -555.933 Base-Backbone interact. energy: -0.599 local terms energy: -596.790317 where: bonds (distance) C4'-P energy: -113.719 bonds (distance) P-C4' energy: -115.395 flat angles C4'-P-C4' energy: -125.641 flat angles P-C4'-P energy: -96.085 tors. eta vs tors. theta energy: -145.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1816.089263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.089263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.089263 (E_RNA) where: Base-Base interactions energy: -1225.376 where: short stacking energy: -517.219 Base-Backbone interact. energy: -2.801 local terms energy: -587.911481 where: bonds (distance) C4'-P energy: -102.310 bonds (distance) P-C4' energy: -118.590 flat angles C4'-P-C4' energy: -129.638 flat angles P-C4'-P energy: -82.906 tors. eta vs tors. theta energy: -154.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1521.124670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.124670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.124670 (E_RNA) where: Base-Base interactions energy: -1018.434 where: short stacking energy: -421.584 Base-Backbone interact. energy: 2.092 local terms energy: -504.783131 where: bonds (distance) C4'-P energy: -124.726 bonds (distance) P-C4' energy: -101.054 flat angles C4'-P-C4' energy: -113.063 flat angles P-C4'-P energy: -69.191 tors. eta vs tors. theta energy: -96.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1412.091149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.091149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.091149 (E_RNA) where: Base-Base interactions energy: -923.758 where: short stacking energy: -422.734 Base-Backbone interact. energy: -0.504 local terms energy: -487.829661 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -103.097 flat angles C4'-P-C4' energy: -122.768 flat angles P-C4'-P energy: -62.033 tors. eta vs tors. theta energy: -99.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1192.898226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.898226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.898226 (E_RNA) where: Base-Base interactions energy: -750.616 where: short stacking energy: -325.765 Base-Backbone interact. energy: -2.133 local terms energy: -440.150026 where: bonds (distance) C4'-P energy: -94.386 bonds (distance) P-C4' energy: -101.144 flat angles C4'-P-C4' energy: -114.901 flat angles P-C4'-P energy: -71.464 tors. eta vs tors. theta energy: -58.255 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: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2637.215590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.215590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.215590 (E_RNA) where: Base-Base interactions energy: -1866.945 where: short stacking energy: -742.556 Base-Backbone interact. energy: -1.409 local terms energy: -768.861178 where: bonds (distance) C4'-P energy: -136.659 bonds (distance) P-C4' energy: -142.987 flat angles C4'-P-C4' energy: -151.635 flat angles P-C4'-P energy: -119.599 tors. eta vs tors. theta energy: -217.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2485.289090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.289090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.289090 (E_RNA) where: Base-Base interactions energy: -1737.525 where: short stacking energy: -737.114 Base-Backbone interact. energy: -0.040 local terms energy: -747.723824 where: bonds (distance) C4'-P energy: -141.006 bonds (distance) P-C4' energy: -126.692 flat angles C4'-P-C4' energy: -155.247 flat angles P-C4'-P energy: -108.868 tors. eta vs tors. theta energy: -215.911 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: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2323.143794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.143794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.143794 (E_RNA) where: Base-Base interactions energy: -1625.733 where: short stacking energy: -672.495 Base-Backbone interact. energy: 3.319 local terms energy: -700.729268 where: bonds (distance) C4'-P energy: -135.799 bonds (distance) P-C4' energy: -128.771 flat angles C4'-P-C4' energy: -150.316 flat angles P-C4'-P energy: -85.757 tors. eta vs tors. theta energy: -200.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2246.675455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.675455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.675455 (E_RNA) where: Base-Base interactions energy: -1557.014 where: short stacking energy: -651.243 Base-Backbone interact. energy: 2.579 local terms energy: -692.240583 where: bonds (distance) C4'-P energy: -133.863 bonds (distance) P-C4' energy: -128.059 flat angles C4'-P-C4' energy: -143.885 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -187.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2106.348648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.348648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.348648 (E_RNA) where: Base-Base interactions energy: -1450.404 where: short stacking energy: -598.561 Base-Backbone interact. energy: 2.812 local terms energy: -658.757000 where: bonds (distance) C4'-P energy: -112.426 bonds (distance) P-C4' energy: -123.364 flat angles C4'-P-C4' energy: -141.805 flat angles P-C4'-P energy: -98.156 tors. eta vs tors. theta energy: -183.006 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: 6, replica: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1953.514332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.514332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.514332 (E_RNA) where: Base-Base interactions energy: -1343.835 where: short stacking energy: -550.873 Base-Backbone interact. energy: -3.302 local terms energy: -606.376919 where: bonds (distance) C4'-P energy: -117.861 bonds (distance) P-C4' energy: -124.407 flat angles C4'-P-C4' energy: -130.332 flat angles P-C4'-P energy: -80.540 tors. eta vs tors. theta energy: -153.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1857.312668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.312668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.312668 (E_RNA) where: Base-Base interactions energy: -1282.376 where: short stacking energy: -526.363 Base-Backbone interact. energy: -1.553 local terms energy: -573.384012 where: bonds (distance) C4'-P energy: -113.604 bonds (distance) P-C4' energy: -106.554 flat angles C4'-P-C4' energy: -125.962 flat angles P-C4'-P energy: -77.773 tors. eta vs tors. theta energy: -149.491 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: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1476.548502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.548502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.548502 (E_RNA) where: Base-Base interactions energy: -985.633 where: short stacking energy: -430.143 Base-Backbone interact. energy: 0.240 local terms energy: -491.155323 where: bonds (distance) C4'-P energy: -99.866 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -103.681 flat angles P-C4'-P energy: -71.523 tors. eta vs tors. theta energy: -95.865 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: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1361.113836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.113836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.113836 (E_RNA) where: Base-Base interactions energy: -897.670 where: short stacking energy: -373.386 Base-Backbone interact. energy: -3.836 local terms energy: -459.607720 where: bonds (distance) C4'-P energy: -87.483 bonds (distance) P-C4' energy: -122.495 flat angles C4'-P-C4' energy: -99.053 flat angles P-C4'-P energy: -71.397 tors. eta vs tors. theta energy: -79.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1111.030960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.030960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.030960 (E_RNA) where: Base-Base interactions energy: -716.474 where: short stacking energy: -312.842 Base-Backbone interact. energy: 8.589 local terms energy: -403.146104 where: bonds (distance) C4'-P energy: -96.757 bonds (distance) P-C4' energy: -100.905 flat angles C4'-P-C4' energy: -115.841 flat angles P-C4'-P energy: -40.363 tors. eta vs tors. theta energy: -49.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2622.511841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.511841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.511841 (E_RNA) where: Base-Base interactions energy: -1868.053 where: short stacking energy: -735.207 Base-Backbone interact. energy: -3.153 local terms energy: -751.305970 where: bonds (distance) C4'-P energy: -136.153 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -155.548 flat angles P-C4'-P energy: -112.630 tors. eta vs tors. theta energy: -210.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2508.430399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.430399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.430399 (E_RNA) where: Base-Base interactions energy: -1758.813 where: short stacking energy: -745.120 Base-Backbone interact. energy: -0.527 local terms energy: -749.090044 where: bonds (distance) C4'-P energy: -113.667 bonds (distance) P-C4' energy: -134.584 flat angles C4'-P-C4' energy: -166.372 flat angles P-C4'-P energy: -114.372 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: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2326.340989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.340989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.340989 (E_RNA) where: Base-Base interactions energy: -1642.859 where: short stacking energy: -668.199 Base-Backbone interact. energy: 0.427 local terms energy: -683.908928 where: bonds (distance) C4'-P energy: -128.454 bonds (distance) P-C4' energy: -123.047 flat angles C4'-P-C4' energy: -141.217 flat angles P-C4'-P energy: -95.745 tors. eta vs tors. theta energy: -195.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2262.809761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.809761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.809761 (E_RNA) where: Base-Base interactions energy: -1609.521 where: short stacking energy: -666.408 Base-Backbone interact. energy: -2.382 local terms energy: -650.907075 where: bonds (distance) C4'-P energy: -103.271 bonds (distance) P-C4' energy: -128.304 flat angles C4'-P-C4' energy: -139.560 flat angles P-C4'-P energy: -91.854 tors. eta vs tors. theta energy: -187.917 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: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2112.506719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.506719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.506719 (E_RNA) where: Base-Base interactions energy: -1471.702 where: short stacking energy: -626.984 Base-Backbone interact. energy: -1.626 local terms energy: -639.179124 where: bonds (distance) C4'-P energy: -107.818 bonds (distance) P-C4' energy: -112.569 flat angles C4'-P-C4' energy: -154.035 flat angles P-C4'-P energy: -87.084 tors. eta vs tors. theta energy: -177.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1979.137792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.137792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.137792 (E_RNA) where: Base-Base interactions energy: -1327.990 where: short stacking energy: -580.792 Base-Backbone interact. energy: -1.775 local terms energy: -649.372076 where: bonds (distance) C4'-P energy: -127.916 bonds (distance) P-C4' energy: -110.644 flat angles C4'-P-C4' energy: -141.752 flat angles P-C4'-P energy: -100.057 tors. eta vs tors. theta energy: -169.003 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: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1842.714878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.714878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.714878 (E_RNA) where: Base-Base interactions energy: -1272.234 where: short stacking energy: -545.250 Base-Backbone interact. energy: 6.628 local terms energy: -577.109001 where: bonds (distance) C4'-P energy: -112.548 bonds (distance) P-C4' energy: -120.745 flat angles C4'-P-C4' energy: -120.551 flat angles P-C4'-P energy: -86.996 tors. eta vs tors. theta energy: -136.268 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: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1464.347900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.347900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.347900 (E_RNA) where: Base-Base interactions energy: -943.843 where: short stacking energy: -443.198 Base-Backbone interact. energy: 2.399 local terms energy: -522.903627 where: bonds (distance) C4'-P energy: -121.966 bonds (distance) P-C4' energy: -127.058 flat angles C4'-P-C4' energy: -112.808 flat angles P-C4'-P energy: -72.209 tors. eta vs tors. theta energy: -88.862 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: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1360.310845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.310845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.310845 (E_RNA) where: Base-Base interactions energy: -876.574 where: short stacking energy: -373.155 Base-Backbone interact. energy: -0.251 local terms energy: -483.485030 where: bonds (distance) C4'-P energy: -112.278 bonds (distance) P-C4' energy: -112.621 flat angles C4'-P-C4' energy: -103.056 flat angles P-C4'-P energy: -82.806 tors. eta vs tors. theta energy: -72.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1146.279395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.279395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.279395 (E_RNA) where: Base-Base interactions energy: -741.755 where: short stacking energy: -323.759 Base-Backbone interact. energy: 0.837 local terms energy: -405.361472 where: bonds (distance) C4'-P energy: -80.021 bonds (distance) P-C4' energy: -114.565 flat angles C4'-P-C4' energy: -109.993 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -49.873 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: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2604.516961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.516961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.516961 (E_RNA) where: Base-Base interactions energy: -1854.285 where: short stacking energy: -747.814 Base-Backbone interact. energy: -2.375 local terms energy: -747.857244 where: bonds (distance) C4'-P energy: -120.921 bonds (distance) P-C4' energy: -136.464 flat angles C4'-P-C4' energy: -158.801 flat angles P-C4'-P energy: -111.037 tors. eta vs tors. theta energy: -220.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2469.454470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.454470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.454470 (E_RNA) where: Base-Base interactions energy: -1758.424 where: short stacking energy: -729.531 Base-Backbone interact. energy: -0.804 local terms energy: -710.225837 where: bonds (distance) C4'-P energy: -130.815 bonds (distance) P-C4' energy: -121.812 flat angles C4'-P-C4' energy: -146.895 flat angles P-C4'-P energy: -100.287 tors. eta vs tors. theta energy: -210.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2303.330568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.330568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.330568 (E_RNA) where: Base-Base interactions energy: -1616.612 where: short stacking energy: -660.791 Base-Backbone interact. energy: -0.952 local terms energy: -685.767249 where: bonds (distance) C4'-P energy: -115.855 bonds (distance) P-C4' energy: -110.924 flat angles C4'-P-C4' energy: -152.027 flat angles P-C4'-P energy: -119.480 tors. eta vs tors. theta energy: -187.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2245.726975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.726975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.726975 (E_RNA) where: Base-Base interactions energy: -1552.544 where: short stacking energy: -649.436 Base-Backbone interact. energy: -2.085 local terms energy: -691.097426 where: bonds (distance) C4'-P energy: -122.376 bonds (distance) P-C4' energy: -122.555 flat angles C4'-P-C4' energy: -149.794 flat angles P-C4'-P energy: -108.181 tors. eta vs tors. theta energy: -188.192 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: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2144.415519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.415519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.415519 (E_RNA) where: Base-Base interactions energy: -1476.602 where: short stacking energy: -610.892 Base-Backbone interact. energy: -4.693 local terms energy: -663.120331 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -110.624 flat angles C4'-P-C4' energy: -135.706 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -195.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1941.682801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.682801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.682801 (E_RNA) where: Base-Base interactions energy: -1323.238 where: short stacking energy: -576.590 Base-Backbone interact. energy: -0.769 local terms energy: -617.675857 where: bonds (distance) C4'-P energy: -101.814 bonds (distance) P-C4' energy: -126.924 flat angles C4'-P-C4' energy: -141.188 flat angles P-C4'-P energy: -89.233 tors. eta vs tors. theta energy: -158.518 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: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1836.558309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.558309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.558309 (E_RNA) where: Base-Base interactions energy: -1260.807 where: short stacking energy: -540.649 Base-Backbone interact. energy: -2.622 local terms energy: -573.129878 where: bonds (distance) C4'-P energy: -90.101 bonds (distance) P-C4' energy: -107.276 flat angles C4'-P-C4' energy: -123.673 flat angles P-C4'-P energy: -101.473 tors. eta vs tors. theta energy: -150.606 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: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1516.212486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.212486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.212486 (E_RNA) where: Base-Base interactions energy: -1013.159 where: short stacking energy: -440.222 Base-Backbone interact. energy: 2.735 local terms energy: -505.788173 where: bonds (distance) C4'-P energy: -108.063 bonds (distance) P-C4' energy: -113.603 flat angles C4'-P-C4' energy: -122.794 flat angles P-C4'-P energy: -67.032 tors. eta vs tors. theta energy: -94.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1368.143521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.143521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.143521 (E_RNA) where: Base-Base interactions energy: -905.173 where: short stacking energy: -414.074 Base-Backbone interact. energy: 2.694 local terms energy: -465.663989 where: bonds (distance) C4'-P energy: -97.875 bonds (distance) P-C4' energy: -108.428 flat angles C4'-P-C4' energy: -107.384 flat angles P-C4'-P energy: -67.141 tors. eta vs tors. theta energy: -84.837 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: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1099.527941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.527941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.527941 (E_RNA) where: Base-Base interactions energy: -680.186 where: short stacking energy: -327.277 Base-Backbone interact. energy: 1.383 local terms energy: -420.725219 where: bonds (distance) C4'-P energy: -96.663 bonds (distance) P-C4' energy: -106.804 flat angles C4'-P-C4' energy: -109.906 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -42.864 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: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2623.389197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.389197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.389197 (E_RNA) where: Base-Base interactions energy: -1858.898 where: short stacking energy: -749.633 Base-Backbone interact. energy: 1.069 local terms energy: -765.559555 where: bonds (distance) C4'-P energy: -134.846 bonds (distance) P-C4' energy: -137.588 flat angles C4'-P-C4' energy: -158.721 flat angles P-C4'-P energy: -107.632 tors. eta vs tors. theta energy: -226.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2486.567154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.567154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.567154 (E_RNA) where: Base-Base interactions energy: -1780.786 where: short stacking energy: -738.848 Base-Backbone interact. energy: -3.539 local terms energy: -702.241758 where: bonds (distance) C4'-P energy: -124.311 bonds (distance) P-C4' energy: -118.071 flat angles C4'-P-C4' energy: -149.717 flat angles P-C4'-P energy: -108.616 tors. eta vs tors. theta energy: -201.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2369.656033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.656033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.656033 (E_RNA) where: Base-Base interactions energy: -1682.847 where: short stacking energy: -700.781 Base-Backbone interact. energy: -3.330 local terms energy: -683.479435 where: bonds (distance) C4'-P energy: -101.082 bonds (distance) P-C4' energy: -127.188 flat angles C4'-P-C4' energy: -151.042 flat angles P-C4'-P energy: -94.694 tors. eta vs tors. theta energy: -209.473 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: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2283.684093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.684093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.684093 (E_RNA) where: Base-Base interactions energy: -1606.326 where: short stacking energy: -686.405 Base-Backbone interact. energy: -3.654 local terms energy: -673.703259 where: bonds (distance) C4'-P energy: -112.940 bonds (distance) P-C4' energy: -130.722 flat angles C4'-P-C4' energy: -130.906 flat angles P-C4'-P energy: -101.593 tors. eta vs tors. theta energy: -197.543 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: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2133.464505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.464505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.464505 (E_RNA) where: Base-Base interactions energy: -1490.625 where: short stacking energy: -637.355 Base-Backbone interact. energy: -0.306 local terms energy: -642.534031 where: bonds (distance) C4'-P energy: -116.809 bonds (distance) P-C4' energy: -119.757 flat angles C4'-P-C4' energy: -125.791 flat angles P-C4'-P energy: -86.085 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: 6, replica: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1959.247021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.247021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.247021 (E_RNA) where: Base-Base interactions energy: -1338.390 where: short stacking energy: -566.265 Base-Backbone interact. energy: 0.720 local terms energy: -621.577306 where: bonds (distance) C4'-P energy: -119.504 bonds (distance) P-C4' energy: -130.586 flat angles C4'-P-C4' energy: -134.628 flat angles P-C4'-P energy: -78.735 tors. eta vs tors. theta energy: -158.124 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: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1837.913211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.913211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.913211 (E_RNA) where: Base-Base interactions energy: -1238.043 where: short stacking energy: -528.774 Base-Backbone interact. energy: 2.041 local terms energy: -601.911699 where: bonds (distance) C4'-P energy: -113.595 bonds (distance) P-C4' energy: -125.354 flat angles C4'-P-C4' energy: -142.302 flat angles P-C4'-P energy: -79.531 tors. eta vs tors. theta energy: -141.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1475.634984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.634984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.634984 (E_RNA) where: Base-Base interactions energy: -973.278 where: short stacking energy: -401.912 Base-Backbone interact. energy: -1.478 local terms energy: -500.879229 where: bonds (distance) C4'-P energy: -104.898 bonds (distance) P-C4' energy: -122.006 flat angles C4'-P-C4' energy: -94.490 flat angles P-C4'-P energy: -79.406 tors. eta vs tors. theta energy: -100.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1362.281509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.281509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.281509 (E_RNA) where: Base-Base interactions energy: -894.092 where: short stacking energy: -412.257 Base-Backbone interact. energy: 2.997 local terms energy: -471.187213 where: bonds (distance) C4'-P energy: -91.703 bonds (distance) P-C4' energy: -116.928 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -59.830 tors. eta vs tors. theta energy: -91.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1157.808155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.808155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.808155 (E_RNA) where: Base-Base interactions energy: -720.722 where: short stacking energy: -331.318 Base-Backbone interact. energy: -4.826 local terms energy: -432.260050 where: bonds (distance) C4'-P energy: -107.653 bonds (distance) P-C4' energy: -116.596 flat angles C4'-P-C4' energy: -103.538 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: -40.480 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: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2622.701505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.701505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.701505 (E_RNA) where: Base-Base interactions energy: -1867.497 where: short stacking energy: -742.984 Base-Backbone interact. energy: -1.586 local terms energy: -753.619038 where: bonds (distance) C4'-P energy: -122.799 bonds (distance) P-C4' energy: -145.472 flat angles C4'-P-C4' energy: -160.187 flat angles P-C4'-P energy: -107.201 tors. eta vs tors. theta energy: -217.961 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: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2476.991726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.991726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.991726 (E_RNA) where: Base-Base interactions energy: -1755.761 where: short stacking energy: -732.754 Base-Backbone interact. energy: -2.104 local terms energy: -719.126803 where: bonds (distance) C4'-P energy: -130.497 bonds (distance) P-C4' energy: -130.163 flat angles C4'-P-C4' energy: -150.319 flat angles P-C4'-P energy: -103.176 tors. eta vs tors. theta energy: -204.972 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: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2390.625033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.625033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.625033 (E_RNA) where: Base-Base interactions energy: -1696.478 where: short stacking energy: -706.014 Base-Backbone interact. energy: -1.376 local terms energy: -692.771086 where: bonds (distance) C4'-P energy: -122.785 bonds (distance) P-C4' energy: -124.062 flat angles C4'-P-C4' energy: -153.564 flat angles P-C4'-P energy: -98.314 tors. eta vs tors. theta energy: -194.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2307.954196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.954196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.954196 (E_RNA) where: Base-Base interactions energy: -1604.337 where: short stacking energy: -682.231 Base-Backbone interact. energy: -2.833 local terms energy: -700.784204 where: bonds (distance) C4'-P energy: -124.949 bonds (distance) P-C4' energy: -127.113 flat angles C4'-P-C4' energy: -142.948 flat angles P-C4'-P energy: -110.150 tors. eta vs tors. theta energy: -195.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2135.560292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.560292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.560292 (E_RNA) where: Base-Base interactions energy: -1481.714 where: short stacking energy: -619.225 Base-Backbone interact. energy: -2.707 local terms energy: -651.138910 where: bonds (distance) C4'-P energy: -138.095 bonds (distance) P-C4' energy: -121.842 flat angles C4'-P-C4' energy: -137.388 flat angles P-C4'-P energy: -78.103 tors. eta vs tors. theta energy: -175.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1962.375504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.375504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.375504 (E_RNA) where: Base-Base interactions energy: -1373.518 where: short stacking energy: -576.499 Base-Backbone interact. energy: 0.850 local terms energy: -589.707412 where: bonds (distance) C4'-P energy: -125.778 bonds (distance) P-C4' energy: -115.275 flat angles C4'-P-C4' energy: -128.625 flat angles P-C4'-P energy: -63.168 tors. eta vs tors. theta energy: -156.861 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: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1831.371153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.371153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.371153 (E_RNA) where: Base-Base interactions energy: -1277.909 where: short stacking energy: -532.315 Base-Backbone interact. energy: -0.973 local terms energy: -552.489095 where: bonds (distance) C4'-P energy: -107.384 bonds (distance) P-C4' energy: -101.561 flat angles C4'-P-C4' energy: -105.480 flat angles P-C4'-P energy: -97.338 tors. eta vs tors. theta energy: -140.727 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: 70 Temperature: 1.250000 Total energy: -1568.587494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.587494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.587494 (E_RNA) where: Base-Base interactions energy: -1057.427 where: short stacking energy: -475.211 Base-Backbone interact. energy: -1.408 local terms energy: -509.751825 where: bonds (distance) C4'-P energy: -110.964 bonds (distance) P-C4' energy: -97.202 flat angles C4'-P-C4' energy: -116.881 flat angles P-C4'-P energy: -76.579 tors. eta vs tors. theta energy: -108.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1362.346111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.346111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.346111 (E_RNA) where: Base-Base interactions energy: -898.373 where: short stacking energy: -380.960 Base-Backbone interact. energy: -0.367 local terms energy: -463.606598 where: bonds (distance) C4'-P energy: -106.231 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -105.122 flat angles P-C4'-P energy: -55.591 tors. eta vs tors. theta energy: -93.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1148.541035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.541035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.541035 (E_RNA) where: Base-Base interactions energy: -738.291 where: short stacking energy: -330.078 Base-Backbone interact. energy: -3.671 local terms energy: -406.578634 where: bonds (distance) C4'-P energy: -80.006 bonds (distance) P-C4' energy: -121.028 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -62.740 tors. eta vs tors. theta energy: -37.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2608.245774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.245774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.245774 (E_RNA) where: Base-Base interactions energy: -1851.402 where: short stacking energy: -738.631 Base-Backbone interact. energy: -1.714 local terms energy: -755.130141 where: bonds (distance) C4'-P energy: -134.383 bonds (distance) P-C4' energy: -127.345 flat angles C4'-P-C4' energy: -153.131 flat angles P-C4'-P energy: -111.681 tors. eta vs tors. theta energy: -228.590 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: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2448.971296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.971296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.971296 (E_RNA) where: Base-Base interactions energy: -1712.990 where: short stacking energy: -701.389 Base-Backbone interact. energy: -0.258 local terms energy: -735.722565 where: bonds (distance) C4'-P energy: -146.476 bonds (distance) P-C4' energy: -129.074 flat angles C4'-P-C4' energy: -156.194 flat angles P-C4'-P energy: -98.296 tors. eta vs tors. theta energy: -205.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2373.526626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.526626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.526626 (E_RNA) where: Base-Base interactions energy: -1656.213 where: short stacking energy: -693.320 Base-Backbone interact. energy: -3.439 local terms energy: -713.874218 where: bonds (distance) C4'-P energy: -126.629 bonds (distance) P-C4' energy: -136.609 flat angles C4'-P-C4' energy: -142.357 flat angles P-C4'-P energy: -106.815 tors. eta vs tors. theta energy: -201.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2293.758391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.758391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.758391 (E_RNA) where: Base-Base interactions energy: -1575.557 where: short stacking energy: -657.998 Base-Backbone interact. energy: -3.148 local terms energy: -715.053094 where: bonds (distance) C4'-P energy: -126.247 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -157.560 flat angles P-C4'-P energy: -88.895 tors. eta vs tors. theta energy: -205.356 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: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2130.559619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.559619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.559619 (E_RNA) where: Base-Base interactions energy: -1463.483 where: short stacking energy: -636.181 Base-Backbone interact. energy: -3.487 local terms energy: -663.589504 where: bonds (distance) C4'-P energy: -133.934 bonds (distance) P-C4' energy: -96.328 flat angles C4'-P-C4' energy: -146.228 flat angles P-C4'-P energy: -93.382 tors. eta vs tors. theta energy: -193.717 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: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1888.316706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.316706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.316706 (E_RNA) where: Base-Base interactions energy: -1291.405 where: short stacking energy: -528.453 Base-Backbone interact. energy: 0.836 local terms energy: -597.747701 where: bonds (distance) C4'-P energy: -102.265 bonds (distance) P-C4' energy: -129.033 flat angles C4'-P-C4' energy: -133.653 flat angles P-C4'-P energy: -94.098 tors. eta vs tors. theta energy: -138.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1828.510464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.510464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.510464 (E_RNA) where: Base-Base interactions energy: -1246.702 where: short stacking energy: -526.823 Base-Backbone interact. energy: -1.476 local terms energy: -580.332515 where: bonds (distance) C4'-P energy: -121.487 bonds (distance) P-C4' energy: -116.114 flat angles C4'-P-C4' energy: -126.766 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -139.888 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: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1492.916074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.916074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.916074 (E_RNA) where: Base-Base interactions energy: -949.867 where: short stacking energy: -418.493 Base-Backbone interact. energy: -3.480 local terms energy: -539.569012 where: bonds (distance) C4'-P energy: -127.994 bonds (distance) P-C4' energy: -116.326 flat angles C4'-P-C4' energy: -117.346 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -113.260 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: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1370.829054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.829054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.829054 (E_RNA) where: Base-Base interactions energy: -915.228 where: short stacking energy: -426.424 Base-Backbone interact. energy: -0.321 local terms energy: -455.280227 where: bonds (distance) C4'-P energy: -95.605 bonds (distance) P-C4' energy: -108.049 flat angles C4'-P-C4' energy: -99.956 flat angles P-C4'-P energy: -59.112 tors. eta vs tors. theta energy: -92.559 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: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1129.372663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.372663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.372663 (E_RNA) where: Base-Base interactions energy: -715.485 where: short stacking energy: -315.740 Base-Backbone interact. energy: -0.930 local terms energy: -412.957914 where: bonds (distance) C4'-P energy: -101.297 bonds (distance) P-C4' energy: -108.345 flat angles C4'-P-C4' energy: -97.670 flat angles P-C4'-P energy: -62.627 tors. eta vs tors. theta energy: -43.018 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: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2637.276775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.276775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.276775 (E_RNA) where: Base-Base interactions energy: -1879.225 where: short stacking energy: -769.384 Base-Backbone interact. energy: -1.886 local terms energy: -756.165190 where: bonds (distance) C4'-P energy: -137.205 bonds (distance) P-C4' energy: -125.514 flat angles C4'-P-C4' energy: -157.461 flat angles P-C4'-P energy: -103.682 tors. eta vs tors. theta energy: -232.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2505.047572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.047572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.047572 (E_RNA) where: Base-Base interactions energy: -1782.634 where: short stacking energy: -732.575 Base-Backbone interact. energy: -1.046 local terms energy: -721.367845 where: bonds (distance) C4'-P energy: -129.559 bonds (distance) P-C4' energy: -130.410 flat angles C4'-P-C4' energy: -148.806 flat angles P-C4'-P energy: -95.521 tors. eta vs tors. theta energy: -217.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2371.786688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.786688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.786688 (E_RNA) where: Base-Base interactions energy: -1672.017 where: short stacking energy: -675.590 Base-Backbone interact. energy: 1.220 local terms energy: -700.989307 where: bonds (distance) C4'-P energy: -119.461 bonds (distance) P-C4' energy: -128.633 flat angles C4'-P-C4' energy: -153.539 flat angles P-C4'-P energy: -96.284 tors. eta vs tors. theta energy: -203.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2263.352783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.352783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.352783 (E_RNA) where: Base-Base interactions energy: -1578.790 where: short stacking energy: -672.278 Base-Backbone interact. energy: -3.260 local terms energy: -681.303370 where: bonds (distance) C4'-P energy: -119.873 bonds (distance) P-C4' energy: -119.239 flat angles C4'-P-C4' energy: -146.042 flat angles P-C4'-P energy: -99.100 tors. eta vs tors. theta energy: -197.050 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: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2097.705344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.705344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.705344 (E_RNA) where: Base-Base interactions energy: -1440.634 where: short stacking energy: -626.924 Base-Backbone interact. energy: -5.522 local terms energy: -651.548592 where: bonds (distance) C4'-P energy: -123.080 bonds (distance) P-C4' energy: -114.077 flat angles C4'-P-C4' energy: -132.684 flat angles P-C4'-P energy: -98.237 tors. eta vs tors. theta energy: -183.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1888.801611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.801611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.801611 (E_RNA) where: Base-Base interactions energy: -1286.357 where: short stacking energy: -560.812 Base-Backbone interact. energy: -2.688 local terms energy: -599.756871 where: bonds (distance) C4'-P energy: -120.618 bonds (distance) P-C4' energy: -119.670 flat angles C4'-P-C4' energy: -124.376 flat angles P-C4'-P energy: -82.838 tors. eta vs tors. theta energy: -152.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1866.151441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.151441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.151441 (E_RNA) where: Base-Base interactions energy: -1288.613 where: short stacking energy: -547.463 Base-Backbone interact. energy: -3.683 local terms energy: -573.855189 where: bonds (distance) C4'-P energy: -110.379 bonds (distance) P-C4' energy: -111.419 flat angles C4'-P-C4' energy: -129.149 flat angles P-C4'-P energy: -83.050 tors. eta vs tors. theta energy: -139.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1488.692698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.692698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.692698 (E_RNA) where: Base-Base interactions energy: -969.503 where: short stacking energy: -438.300 Base-Backbone interact. energy: -1.109 local terms energy: -518.080082 where: bonds (distance) C4'-P energy: -110.038 bonds (distance) P-C4' energy: -117.543 flat angles C4'-P-C4' energy: -116.437 flat angles P-C4'-P energy: -71.133 tors. eta vs tors. theta energy: -102.928 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: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1345.959879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.959879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.959879 (E_RNA) where: Base-Base interactions energy: -873.514 where: short stacking energy: -377.675 Base-Backbone interact. energy: -0.158 local terms energy: -472.287331 where: bonds (distance) C4'-P energy: -93.088 bonds (distance) P-C4' energy: -122.305 flat angles C4'-P-C4' energy: -105.010 flat angles P-C4'-P energy: -70.587 tors. eta vs tors. theta energy: -81.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1100.718497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.718497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.718497 (E_RNA) where: Base-Base interactions energy: -695.461 where: short stacking energy: -294.728 Base-Backbone interact. energy: 1.278 local terms energy: -406.535878 where: bonds (distance) C4'-P energy: -110.204 bonds (distance) P-C4' energy: -125.084 flat angles C4'-P-C4' energy: -103.322 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2628.461186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.461186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.461186 (E_RNA) where: Base-Base interactions energy: -1873.176 where: short stacking energy: -738.971 Base-Backbone interact. energy: -1.813 local terms energy: -753.472230 where: bonds (distance) C4'-P energy: -145.536 bonds (distance) P-C4' energy: -124.730 flat angles C4'-P-C4' energy: -153.446 flat angles P-C4'-P energy: -106.307 tors. eta vs tors. theta energy: -223.453 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: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2515.370939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.370939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.370939 (E_RNA) where: Base-Base interactions energy: -1807.068 where: short stacking energy: -725.450 Base-Backbone interact. energy: -2.060 local terms energy: -706.242329 where: bonds (distance) C4'-P energy: -113.691 bonds (distance) P-C4' energy: -128.108 flat angles C4'-P-C4' energy: -148.102 flat angles P-C4'-P energy: -106.559 tors. eta vs tors. theta energy: -209.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2360.821844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.821844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.821844 (E_RNA) where: Base-Base interactions energy: -1657.897 where: short stacking energy: -696.094 Base-Backbone interact. energy: 0.810 local terms energy: -703.735125 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -135.389 flat angles C4'-P-C4' energy: -142.039 flat angles P-C4'-P energy: -100.718 tors. eta vs tors. theta energy: -209.779 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: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2259.417929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.417929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.417929 (E_RNA) where: Base-Base interactions energy: -1613.031 where: short stacking energy: -684.528 Base-Backbone interact. energy: -1.932 local terms energy: -644.454245 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -129.460 flat angles C4'-P-C4' energy: -145.943 flat angles P-C4'-P energy: -81.644 tors. eta vs tors. theta energy: -193.301 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: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2100.588192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.588192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.588192 (E_RNA) where: Base-Base interactions energy: -1480.767 where: short stacking energy: -593.776 Base-Backbone interact. energy: -1.737 local terms energy: -618.083681 where: bonds (distance) C4'-P energy: -124.212 bonds (distance) P-C4' energy: -117.400 flat angles C4'-P-C4' energy: -123.457 flat angles P-C4'-P energy: -89.607 tors. eta vs tors. theta energy: -163.408 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: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1897.265974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.265974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.265974 (E_RNA) where: Base-Base interactions energy: -1302.323 where: short stacking energy: -560.221 Base-Backbone interact. energy: -1.691 local terms energy: -593.251642 where: bonds (distance) C4'-P energy: -90.792 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -140.043 flat angles P-C4'-P energy: -85.377 tors. eta vs tors. theta energy: -161.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1871.289147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.289147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.289147 (E_RNA) where: Base-Base interactions energy: -1285.833 where: short stacking energy: -544.188 Base-Backbone interact. energy: -1.759 local terms energy: -583.697330 where: bonds (distance) C4'-P energy: -103.643 bonds (distance) P-C4' energy: -137.519 flat angles C4'-P-C4' energy: -120.911 flat angles P-C4'-P energy: -81.464 tors. eta vs tors. theta energy: -140.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1452.818787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.818787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.818787 (E_RNA) where: Base-Base interactions energy: -970.851 where: short stacking energy: -432.108 Base-Backbone interact. energy: -1.409 local terms energy: -480.558754 where: bonds (distance) C4'-P energy: -86.083 bonds (distance) P-C4' energy: -103.978 flat angles C4'-P-C4' energy: -121.763 flat angles P-C4'-P energy: -67.968 tors. eta vs tors. theta energy: -100.766 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: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1438.731378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.731378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.731378 (E_RNA) where: Base-Base interactions energy: -943.985 where: short stacking energy: -412.195 Base-Backbone interact. energy: -0.901 local terms energy: -493.845724 where: bonds (distance) C4'-P energy: -113.425 bonds (distance) P-C4' energy: -104.664 flat angles C4'-P-C4' energy: -115.094 flat angles P-C4'-P energy: -70.526 tors. eta vs tors. theta energy: -90.138 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: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1127.800586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.800586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.800586 (E_RNA) where: Base-Base interactions energy: -709.810 where: short stacking energy: -343.301 Base-Backbone interact. energy: -0.063 local terms energy: -417.928339 where: bonds (distance) C4'-P energy: -99.112 bonds (distance) P-C4' energy: -99.476 flat angles C4'-P-C4' energy: -99.638 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: -58.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2619.800242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.800242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.800242 (E_RNA) where: Base-Base interactions energy: -1862.495 where: short stacking energy: -757.288 Base-Backbone interact. energy: -3.244 local terms energy: -754.061582 where: bonds (distance) C4'-P energy: -126.725 bonds (distance) P-C4' energy: -135.615 flat angles C4'-P-C4' energy: -151.886 flat angles P-C4'-P energy: -110.124 tors. eta vs tors. theta energy: -229.711 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: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2511.257285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.257285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.257285 (E_RNA) where: Base-Base interactions energy: -1761.380 where: short stacking energy: -727.717 Base-Backbone interact. energy: -1.762 local terms energy: -748.115024 where: bonds (distance) C4'-P energy: -134.315 bonds (distance) P-C4' energy: -140.595 flat angles C4'-P-C4' energy: -146.649 flat angles P-C4'-P energy: -109.705 tors. eta vs tors. theta energy: -216.851 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: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2349.808468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.808468 (E_RNA) where: Base-Base interactions energy: -1663.670 where: short stacking energy: -668.848 Base-Backbone interact. energy: -3.334 local terms energy: -682.804104 where: bonds (distance) C4'-P energy: -127.033 bonds (distance) P-C4' energy: -122.794 flat angles C4'-P-C4' energy: -138.443 flat angles P-C4'-P energy: -102.273 tors. eta vs tors. theta energy: -192.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2271.072522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.072522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.072522 (E_RNA) where: Base-Base interactions energy: -1586.838 where: short stacking energy: -670.122 Base-Backbone interact. energy: 5.238 local terms energy: -689.471969 where: bonds (distance) C4'-P energy: -123.109 bonds (distance) P-C4' energy: -118.192 flat angles C4'-P-C4' energy: -155.561 flat angles P-C4'-P energy: -94.836 tors. eta vs tors. theta energy: -197.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2130.551711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.551711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.551711 (E_RNA) where: Base-Base interactions energy: -1487.510 where: short stacking energy: -623.027 Base-Backbone interact. energy: -3.452 local terms energy: -639.590124 where: bonds (distance) C4'-P energy: -112.125 bonds (distance) P-C4' energy: -122.808 flat angles C4'-P-C4' energy: -145.284 flat angles P-C4'-P energy: -81.477 tors. eta vs tors. theta energy: -177.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1919.701564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.701564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.701564 (E_RNA) where: Base-Base interactions energy: -1329.565 where: short stacking energy: -562.199 Base-Backbone interact. energy: 0.002 local terms energy: -590.139060 where: bonds (distance) C4'-P energy: -108.089 bonds (distance) P-C4' energy: -111.790 flat angles C4'-P-C4' energy: -133.291 flat angles P-C4'-P energy: -75.311 tors. eta vs tors. theta energy: -161.658 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: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1846.985392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.985392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.985392 (E_RNA) where: Base-Base interactions energy: -1256.444 where: short stacking energy: -544.901 Base-Backbone interact. energy: -0.607 local terms energy: -589.934243 where: bonds (distance) C4'-P energy: -116.003 bonds (distance) P-C4' energy: -108.508 flat angles C4'-P-C4' energy: -123.103 flat angles P-C4'-P energy: -83.868 tors. eta vs tors. theta energy: -158.453 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: 74 Temperature: 1.250000 Total energy: -1512.839985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.839985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.839985 (E_RNA) where: Base-Base interactions energy: -976.252 where: short stacking energy: -427.234 Base-Backbone interact. energy: -7.636 local terms energy: -528.952122 where: bonds (distance) C4'-P energy: -106.138 bonds (distance) P-C4' energy: -115.016 flat angles C4'-P-C4' energy: -129.723 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -112.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1449.944604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.944604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.944604 (E_RNA) where: Base-Base interactions energy: -948.227 where: short stacking energy: -412.883 Base-Backbone interact. energy: -1.010 local terms energy: -500.707495 where: bonds (distance) C4'-P energy: -118.353 bonds (distance) P-C4' energy: -107.057 flat angles C4'-P-C4' energy: -116.118 flat angles P-C4'-P energy: -71.325 tors. eta vs tors. theta energy: -87.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1070.601165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.601165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.601165 (E_RNA) where: Base-Base interactions energy: -677.606 where: short stacking energy: -313.226 Base-Backbone interact. energy: 1.003 local terms energy: -393.998275 where: bonds (distance) C4'-P energy: -86.473 bonds (distance) P-C4' energy: -113.283 flat angles C4'-P-C4' energy: -91.713 flat angles P-C4'-P energy: -65.996 tors. eta vs tors. theta energy: -36.533 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: 75 Temperature: 0.900000 Total energy: -2615.677471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.677471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.677471 (E_RNA) where: Base-Base interactions energy: -1861.003 where: short stacking energy: -730.173 Base-Backbone interact. energy: -0.857 local terms energy: -753.817816 where: bonds (distance) C4'-P energy: -127.592 bonds (distance) P-C4' energy: -139.132 flat angles C4'-P-C4' energy: -157.778 flat angles P-C4'-P energy: -106.383 tors. eta vs tors. theta energy: -222.933 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: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2511.165284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.165284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.165284 (E_RNA) where: Base-Base interactions energy: -1763.974 where: short stacking energy: -718.975 Base-Backbone interact. energy: 4.139 local terms energy: -751.331099 where: bonds (distance) C4'-P energy: -132.788 bonds (distance) P-C4' energy: -144.591 flat angles C4'-P-C4' energy: -152.128 flat angles P-C4'-P energy: -100.975 tors. eta vs tors. theta energy: -220.849 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: 6 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2397.632667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.632667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.632667 (E_RNA) where: Base-Base interactions energy: -1702.465 where: short stacking energy: -680.556 Base-Backbone interact. energy: -2.220 local terms energy: -692.947884 where: bonds (distance) C4'-P energy: -118.158 bonds (distance) P-C4' energy: -135.827 flat angles C4'-P-C4' energy: -146.946 flat angles P-C4'-P energy: -102.057 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: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2245.499059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.499059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.499059 (E_RNA) where: Base-Base interactions energy: -1580.880 where: short stacking energy: -660.335 Base-Backbone interact. energy: -4.779 local terms energy: -659.839851 where: bonds (distance) C4'-P energy: -111.640 bonds (distance) P-C4' energy: -136.430 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -74.523 tors. eta vs tors. theta energy: -190.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2157.595234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.595234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.595234 (E_RNA) where: Base-Base interactions energy: -1500.438 where: short stacking energy: -627.397 Base-Backbone interact. energy: -2.112 local terms energy: -655.044814 where: bonds (distance) C4'-P energy: -107.426 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -138.739 flat angles P-C4'-P energy: -99.295 tors. eta vs tors. theta energy: -191.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1895.681357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.681357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.681357 (E_RNA) where: Base-Base interactions energy: -1302.652 where: short stacking energy: -554.042 Base-Backbone interact. energy: -3.810 local terms energy: -589.219899 where: bonds (distance) C4'-P energy: -114.634 bonds (distance) P-C4' energy: -125.117 flat angles C4'-P-C4' energy: -127.792 flat angles P-C4'-P energy: -78.917 tors. eta vs tors. theta energy: -142.760 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: 75 Temperature: 1.200000 Total energy: -1776.826475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.826475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.826475 (E_RNA) where: Base-Base interactions energy: -1211.297 where: short stacking energy: -515.898 Base-Backbone interact. energy: -3.203 local terms energy: -562.326429 where: bonds (distance) C4'-P energy: -108.955 bonds (distance) P-C4' energy: -121.410 flat angles C4'-P-C4' energy: -125.084 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -129.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1549.242288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.242288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.242288 (E_RNA) where: Base-Base interactions energy: -1037.106 where: short stacking energy: -470.828 Base-Backbone interact. energy: -0.607 local terms energy: -511.530113 where: bonds (distance) C4'-P energy: -114.525 bonds (distance) P-C4' energy: -96.327 flat angles C4'-P-C4' energy: -126.325 flat angles P-C4'-P energy: -67.417 tors. eta vs tors. theta energy: -106.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1380.132994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.132994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.132994 (E_RNA) where: Base-Base interactions energy: -902.831 where: short stacking energy: -412.886 Base-Backbone interact. energy: -2.154 local terms energy: -475.148695 where: bonds (distance) C4'-P energy: -112.708 bonds (distance) P-C4' energy: -110.935 flat angles C4'-P-C4' energy: -86.229 flat angles P-C4'-P energy: -74.538 tors. eta vs tors. theta energy: -90.739 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: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1066.273538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.273538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.273538 (E_RNA) where: Base-Base interactions energy: -648.243 where: short stacking energy: -290.565 Base-Backbone interact. energy: 5.996 local terms energy: -424.026259 where: bonds (distance) C4'-P energy: -112.914 bonds (distance) P-C4' energy: -105.507 flat angles C4'-P-C4' energy: -125.479 flat angles P-C4'-P energy: -51.081 tors. eta vs tors. theta energy: -29.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2610.098297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.098297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.098297 (E_RNA) where: Base-Base interactions energy: -1855.469 where: short stacking energy: -750.423 Base-Backbone interact. energy: 0.646 local terms energy: -755.274897 where: bonds (distance) C4'-P energy: -141.238 bonds (distance) P-C4' energy: -135.526 flat angles C4'-P-C4' energy: -157.433 flat angles P-C4'-P energy: -102.956 tors. eta vs tors. theta energy: -218.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2506.348297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.348297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.348297 (E_RNA) where: Base-Base interactions energy: -1774.255 where: short stacking energy: -736.126 Base-Backbone interact. energy: 0.774 local terms energy: -732.867061 where: bonds (distance) C4'-P energy: -124.892 bonds (distance) P-C4' energy: -127.854 flat angles C4'-P-C4' energy: -152.287 flat angles P-C4'-P energy: -102.415 tors. eta vs tors. theta energy: -225.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2443.391926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.391926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.391926 (E_RNA) where: Base-Base interactions energy: -1744.564 where: short stacking energy: -706.795 Base-Backbone interact. energy: -0.493 local terms energy: -698.335132 where: bonds (distance) C4'-P energy: -131.792 bonds (distance) P-C4' energy: -132.483 flat angles C4'-P-C4' energy: -151.330 flat angles P-C4'-P energy: -88.639 tors. eta vs tors. theta energy: -194.091 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: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2266.499153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.499153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.499153 (E_RNA) where: Base-Base interactions energy: -1599.246 where: short stacking energy: -675.534 Base-Backbone interact. energy: -1.898 local terms energy: -665.355094 where: bonds (distance) C4'-P energy: -117.881 bonds (distance) P-C4' energy: -128.408 flat angles C4'-P-C4' energy: -138.964 flat angles P-C4'-P energy: -87.339 tors. eta vs tors. theta energy: -192.763 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: 76 Temperature: 1.100000 Total energy: -2076.386629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.386629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.386629 (E_RNA) where: Base-Base interactions energy: -1448.074 where: short stacking energy: -585.537 Base-Backbone interact. energy: 1.177 local terms energy: -629.489374 where: bonds (distance) C4'-P energy: -116.087 bonds (distance) P-C4' energy: -131.929 flat angles C4'-P-C4' energy: -136.616 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -174.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1898.209773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.209773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.209773 (E_RNA) where: Base-Base interactions energy: -1297.083 where: short stacking energy: -516.527 Base-Backbone interact. energy: -1.157 local terms energy: -599.970019 where: bonds (distance) C4'-P energy: -111.372 bonds (distance) P-C4' energy: -120.929 flat angles C4'-P-C4' energy: -135.154 flat angles P-C4'-P energy: -80.780 tors. eta vs tors. theta energy: -151.735 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: 76 Temperature: 1.200000 Total energy: -1867.694181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.694181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.694181 (E_RNA) where: Base-Base interactions energy: -1303.761 where: short stacking energy: -548.101 Base-Backbone interact. energy: 2.263 local terms energy: -566.195523 where: bonds (distance) C4'-P energy: -98.050 bonds (distance) P-C4' energy: -122.335 flat angles C4'-P-C4' energy: -130.854 flat angles P-C4'-P energy: -67.456 tors. eta vs tors. theta energy: -147.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1575.531142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.531142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.531142 (E_RNA) where: Base-Base interactions energy: -1047.914 where: short stacking energy: -463.473 Base-Backbone interact. energy: 3.186 local terms energy: -530.803261 where: bonds (distance) C4'-P energy: -117.451 bonds (distance) P-C4' energy: -104.121 flat angles C4'-P-C4' energy: -126.821 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -117.232 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: 9, replica: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1421.210102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.210102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.210102 (E_RNA) where: Base-Base interactions energy: -925.113 where: short stacking energy: -401.872 Base-Backbone interact. energy: -0.308 local terms energy: -495.788804 where: bonds (distance) C4'-P energy: -115.467 bonds (distance) P-C4' energy: -109.122 flat angles C4'-P-C4' energy: -120.355 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -87.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1089.757404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.757404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.757404 (E_RNA) where: Base-Base interactions energy: -680.095 where: short stacking energy: -292.058 Base-Backbone interact. energy: 3.335 local terms energy: -412.997467 where: bonds (distance) C4'-P energy: -109.348 bonds (distance) P-C4' energy: -117.511 flat angles C4'-P-C4' energy: -98.846 flat angles P-C4'-P energy: -49.255 tors. eta vs tors. theta energy: -38.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2613.901013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.901013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.901013 (E_RNA) where: Base-Base interactions energy: -1866.084 where: short stacking energy: -761.944 Base-Backbone interact. energy: -0.551 local terms energy: -747.265482 where: bonds (distance) C4'-P energy: -122.722 bonds (distance) P-C4' energy: -127.521 flat angles C4'-P-C4' energy: -154.760 flat angles P-C4'-P energy: -115.524 tors. eta vs tors. theta energy: -226.738 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: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2472.299146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.299146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.299146 (E_RNA) where: Base-Base interactions energy: -1738.950 where: short stacking energy: -705.278 Base-Backbone interact. energy: -1.808 local terms energy: -731.541071 where: bonds (distance) C4'-P energy: -134.852 bonds (distance) P-C4' energy: -130.900 flat angles C4'-P-C4' energy: -145.220 flat angles P-C4'-P energy: -118.239 tors. eta vs tors. theta energy: -202.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2456.303453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.303453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.303453 (E_RNA) where: Base-Base interactions energy: -1740.085 where: short stacking energy: -728.410 Base-Backbone interact. energy: 2.153 local terms energy: -718.371029 where: bonds (distance) C4'-P energy: -133.351 bonds (distance) P-C4' energy: -129.572 flat angles C4'-P-C4' energy: -142.518 flat angles P-C4'-P energy: -102.008 tors. eta vs tors. theta energy: -210.921 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: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2295.807508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.807508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.807508 (E_RNA) where: Base-Base interactions energy: -1598.561 where: short stacking energy: -667.458 Base-Backbone interact. energy: -1.995 local terms energy: -695.251192 where: bonds (distance) C4'-P energy: -129.966 bonds (distance) P-C4' energy: -128.924 flat angles C4'-P-C4' energy: -148.015 flat angles P-C4'-P energy: -91.586 tors. eta vs tors. theta energy: -196.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2118.635445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.635445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.635445 (E_RNA) where: Base-Base interactions energy: -1463.510 where: short stacking energy: -618.913 Base-Backbone interact. energy: 0.927 local terms energy: -656.052586 where: bonds (distance) C4'-P energy: -114.207 bonds (distance) P-C4' energy: -125.127 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -89.223 tors. eta vs tors. theta energy: -185.031 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: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1869.208527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.208527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.208527 (E_RNA) where: Base-Base interactions energy: -1273.194 where: short stacking energy: -523.776 Base-Backbone interact. energy: -1.082 local terms energy: -594.932233 where: bonds (distance) C4'-P energy: -116.431 bonds (distance) P-C4' energy: -131.891 flat angles C4'-P-C4' energy: -128.377 flat angles P-C4'-P energy: -87.505 tors. eta vs tors. theta energy: -130.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1837.571112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.571112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.571112 (E_RNA) where: Base-Base interactions energy: -1268.513 where: short stacking energy: -524.527 Base-Backbone interact. energy: -1.425 local terms energy: -567.633053 where: bonds (distance) C4'-P energy: -116.384 bonds (distance) P-C4' energy: -113.898 flat angles C4'-P-C4' energy: -136.158 flat angles P-C4'-P energy: -66.070 tors. eta vs tors. theta energy: -135.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1587.356485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.356485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.356485 (E_RNA) where: Base-Base interactions energy: -1043.749 where: short stacking energy: -465.444 Base-Backbone interact. energy: -0.286 local terms energy: -543.321914 where: bonds (distance) C4'-P energy: -114.179 bonds (distance) P-C4' energy: -117.201 flat angles C4'-P-C4' energy: -116.802 flat angles P-C4'-P energy: -81.109 tors. eta vs tors. theta energy: -114.031 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: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1359.078869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.078869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.078869 (E_RNA) where: Base-Base interactions energy: -892.342 where: short stacking energy: -383.271 Base-Backbone interact. energy: 2.171 local terms energy: -468.907655 where: bonds (distance) C4'-P energy: -110.484 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -120.839 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -87.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1116.331608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.331608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.331608 (E_RNA) where: Base-Base interactions energy: -703.101 where: short stacking energy: -320.127 Base-Backbone interact. energy: -2.551 local terms energy: -410.679109 where: bonds (distance) C4'-P energy: -107.406 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -59.029 tors. eta vs tors. theta energy: -42.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2639.786007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.786007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.786007 (E_RNA) where: Base-Base interactions energy: -1861.797 where: short stacking energy: -760.510 Base-Backbone interact. energy: -2.205 local terms energy: -775.783178 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -142.043 flat angles C4'-P-C4' energy: -153.930 flat angles P-C4'-P energy: -108.425 tors. eta vs tors. theta energy: -229.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2425.088852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.088852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.088852 (E_RNA) where: Base-Base interactions energy: -1719.006 where: short stacking energy: -713.516 Base-Backbone interact. energy: 0.144 local terms energy: -706.226878 where: bonds (distance) C4'-P energy: -118.434 bonds (distance) P-C4' energy: -122.364 flat angles C4'-P-C4' energy: -150.056 flat angles P-C4'-P energy: -106.351 tors. eta vs tors. theta energy: -209.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2468.239894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.239894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.239894 (E_RNA) where: Base-Base interactions energy: -1748.536 where: short stacking energy: -713.933 Base-Backbone interact. energy: 2.240 local terms energy: -721.944253 where: bonds (distance) C4'-P energy: -133.662 bonds (distance) P-C4' energy: -119.601 flat angles C4'-P-C4' energy: -156.268 flat angles P-C4'-P energy: -99.313 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: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2265.828239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.828239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.828239 (E_RNA) where: Base-Base interactions energy: -1596.558 where: short stacking energy: -663.579 Base-Backbone interact. energy: 3.833 local terms energy: -673.103152 where: bonds (distance) C4'-P energy: -119.273 bonds (distance) P-C4' energy: -121.057 flat angles C4'-P-C4' energy: -148.151 flat angles P-C4'-P energy: -93.422 tors. eta vs tors. theta energy: -191.201 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: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2109.180384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.180384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.180384 (E_RNA) where: Base-Base interactions energy: -1467.950 where: short stacking energy: -633.829 Base-Backbone interact. energy: -0.857 local terms energy: -640.373188 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -128.078 flat angles C4'-P-C4' energy: -140.392 flat angles P-C4'-P energy: -81.754 tors. eta vs tors. theta energy: -182.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1871.672354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.672354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.672354 (E_RNA) where: Base-Base interactions energy: -1297.480 where: short stacking energy: -553.236 Base-Backbone interact. energy: -0.070 local terms energy: -574.122258 where: bonds (distance) C4'-P energy: -98.746 bonds (distance) P-C4' energy: -107.833 flat angles C4'-P-C4' energy: -126.765 flat angles P-C4'-P energy: -91.629 tors. eta vs tors. theta energy: -149.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1793.952962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.952962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.952962 (E_RNA) where: Base-Base interactions energy: -1220.794 where: short stacking energy: -521.122 Base-Backbone interact. energy: -3.269 local terms energy: -569.890088 where: bonds (distance) C4'-P energy: -112.133 bonds (distance) P-C4' energy: -117.727 flat angles C4'-P-C4' energy: -137.403 flat angles P-C4'-P energy: -79.269 tors. eta vs tors. theta energy: -123.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1601.522348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.522348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.522348 (E_RNA) where: Base-Base interactions energy: -1083.010 where: short stacking energy: -471.243 Base-Backbone interact. energy: -1.857 local terms energy: -516.655388 where: bonds (distance) C4'-P energy: -122.820 bonds (distance) P-C4' energy: -105.729 flat angles C4'-P-C4' energy: -127.218 flat angles P-C4'-P energy: -57.280 tors. eta vs tors. theta energy: -103.608 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: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1246.390566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.390566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.390566 (E_RNA) where: Base-Base interactions energy: -783.641 where: short stacking energy: -342.703 Base-Backbone interact. energy: -2.495 local terms energy: -460.254557 where: bonds (distance) C4'-P energy: -126.217 bonds (distance) P-C4' energy: -115.079 flat angles C4'-P-C4' energy: -100.754 flat angles P-C4'-P energy: -64.530 tors. eta vs tors. theta energy: -53.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1128.115099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.115099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.115099 (E_RNA) where: Base-Base interactions energy: -704.149 where: short stacking energy: -324.890 Base-Backbone interact. energy: 6.994 local terms energy: -430.959785 where: bonds (distance) C4'-P energy: -107.802 bonds (distance) P-C4' energy: -83.461 flat angles C4'-P-C4' energy: -96.782 flat angles P-C4'-P energy: -80.816 tors. eta vs tors. theta energy: -62.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2646.217196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.217196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.217196 (E_RNA) where: Base-Base interactions energy: -1874.770 where: short stacking energy: -754.154 Base-Backbone interact. energy: -4.907 local terms energy: -766.540505 where: bonds (distance) C4'-P energy: -132.616 bonds (distance) P-C4' energy: -132.152 flat angles C4'-P-C4' energy: -163.536 flat angles P-C4'-P energy: -106.793 tors. eta vs tors. theta energy: -231.443 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: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2499.403414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.403414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.403414 (E_RNA) where: Base-Base interactions energy: -1786.038 where: short stacking energy: -730.111 Base-Backbone interact. energy: -0.547 local terms energy: -712.818101 where: bonds (distance) C4'-P energy: -132.333 bonds (distance) P-C4' energy: -138.093 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -101.161 tors. eta vs tors. theta energy: -205.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2384.508859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.508859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.508859 (E_RNA) where: Base-Base interactions energy: -1672.351 where: short stacking energy: -691.831 Base-Backbone interact. energy: -3.868 local terms energy: -708.289657 where: bonds (distance) C4'-P energy: -123.561 bonds (distance) P-C4' energy: -122.303 flat angles C4'-P-C4' energy: -156.940 flat angles P-C4'-P energy: -91.789 tors. eta vs tors. theta energy: -213.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2252.100485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.100485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.100485 (E_RNA) where: Base-Base interactions energy: -1551.451 where: short stacking energy: -645.863 Base-Backbone interact. energy: -4.158 local terms energy: -696.491650 where: bonds (distance) C4'-P energy: -129.015 bonds (distance) P-C4' energy: -131.358 flat angles C4'-P-C4' energy: -147.838 flat angles P-C4'-P energy: -98.895 tors. eta vs tors. theta energy: -189.385 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: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2108.322189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.322189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.322189 (E_RNA) where: Base-Base interactions energy: -1481.887 where: short stacking energy: -627.017 Base-Backbone interact. energy: 0.964 local terms energy: -627.398375 where: bonds (distance) C4'-P energy: -118.669 bonds (distance) P-C4' energy: -96.653 flat angles C4'-P-C4' energy: -147.638 flat angles P-C4'-P energy: -86.437 tors. eta vs tors. theta energy: -178.001 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: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1884.533070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.533070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.533070 (E_RNA) where: Base-Base interactions energy: -1290.241 where: short stacking energy: -571.058 Base-Backbone interact. energy: -4.094 local terms energy: -590.198434 where: bonds (distance) C4'-P energy: -109.408 bonds (distance) P-C4' energy: -105.316 flat angles C4'-P-C4' energy: -126.804 flat angles P-C4'-P energy: -92.917 tors. eta vs tors. theta energy: -155.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1885.389152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.389152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.389152 (E_RNA) where: Base-Base interactions energy: -1289.414 where: short stacking energy: -551.607 Base-Backbone interact. energy: -0.369 local terms energy: -595.606700 where: bonds (distance) C4'-P energy: -108.448 bonds (distance) P-C4' energy: -126.003 flat angles C4'-P-C4' energy: -139.915 flat angles P-C4'-P energy: -71.985 tors. eta vs tors. theta energy: -149.256 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: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1603.635366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.635366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.635366 (E_RNA) where: Base-Base interactions energy: -1085.319 where: short stacking energy: -457.041 Base-Backbone interact. energy: 0.366 local terms energy: -518.682248 where: bonds (distance) C4'-P energy: -106.181 bonds (distance) P-C4' energy: -100.971 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: -116.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1277.969969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.969969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.969969 (E_RNA) where: Base-Base interactions energy: -802.212 where: short stacking energy: -368.440 Base-Backbone interact. energy: -1.473 local terms energy: -474.285082 where: bonds (distance) C4'-P energy: -100.672 bonds (distance) P-C4' energy: -124.009 flat angles C4'-P-C4' energy: -113.740 flat angles P-C4'-P energy: -74.156 tors. eta vs tors. theta energy: -61.708 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: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1184.869166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.869166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.869166 (E_RNA) where: Base-Base interactions energy: -750.389 where: short stacking energy: -334.644 Base-Backbone interact. energy: 1.718 local terms energy: -436.197960 where: bonds (distance) C4'-P energy: -107.718 bonds (distance) P-C4' energy: -105.051 flat angles C4'-P-C4' energy: -105.523 flat angles P-C4'-P energy: -67.339 tors. eta vs tors. theta energy: -50.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2644.819755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.819755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.819755 (E_RNA) where: Base-Base interactions energy: -1883.178 where: short stacking energy: -766.582 Base-Backbone interact. energy: 1.664 local terms energy: -763.306422 where: bonds (distance) C4'-P energy: -138.179 bonds (distance) P-C4' energy: -127.973 flat angles C4'-P-C4' energy: -165.875 flat angles P-C4'-P energy: -101.782 tors. eta vs tors. theta energy: -229.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2517.316783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.316783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.316783 (E_RNA) where: Base-Base interactions energy: -1792.966 where: short stacking energy: -759.658 Base-Backbone interact. energy: -1.916 local terms energy: -722.434432 where: bonds (distance) C4'-P energy: -124.203 bonds (distance) P-C4' energy: -134.567 flat angles C4'-P-C4' energy: -156.658 flat angles P-C4'-P energy: -86.466 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: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2396.972314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.972314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.972314 (E_RNA) where: Base-Base interactions energy: -1698.922 where: short stacking energy: -699.325 Base-Backbone interact. energy: -0.777 local terms energy: -697.273168 where: bonds (distance) C4'-P energy: -131.244 bonds (distance) P-C4' energy: -120.500 flat angles C4'-P-C4' energy: -142.943 flat angles P-C4'-P energy: -99.144 tors. eta vs tors. theta energy: -203.442 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: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2251.415632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.415632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.415632 (E_RNA) where: Base-Base interactions energy: -1596.889 where: short stacking energy: -650.067 Base-Backbone interact. energy: 1.450 local terms energy: -655.976831 where: bonds (distance) C4'-P energy: -119.197 bonds (distance) P-C4' energy: -109.312 flat angles C4'-P-C4' energy: -136.179 flat angles P-C4'-P energy: -100.967 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: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2138.944159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.944159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.944159 (E_RNA) where: Base-Base interactions energy: -1506.186 where: short stacking energy: -651.991 Base-Backbone interact. energy: -2.005 local terms energy: -630.753317 where: bonds (distance) C4'-P energy: -110.570 bonds (distance) P-C4' energy: -110.169 flat angles C4'-P-C4' energy: -141.152 flat angles P-C4'-P energy: -91.337 tors. eta vs tors. theta energy: -177.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1831.633541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.633541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.633541 (E_RNA) where: Base-Base interactions energy: -1223.536 where: short stacking energy: -543.965 Base-Backbone interact. energy: -1.322 local terms energy: -606.775271 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -107.710 flat angles C4'-P-C4' energy: -134.881 flat angles P-C4'-P energy: -94.232 tors. eta vs tors. theta energy: -146.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1881.521175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.521175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.521175 (E_RNA) where: Base-Base interactions energy: -1300.557 where: short stacking energy: -526.873 Base-Backbone interact. energy: 1.723 local terms energy: -582.686982 where: bonds (distance) C4'-P energy: -110.988 bonds (distance) P-C4' energy: -115.144 flat angles C4'-P-C4' energy: -122.075 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -135.930 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: 80 Temperature: 1.250000 Total energy: -1733.518869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.518869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.518869 (E_RNA) where: Base-Base interactions energy: -1185.331 where: short stacking energy: -490.587 Base-Backbone interact. energy: -0.108 local terms energy: -548.080417 where: bonds (distance) C4'-P energy: -112.537 bonds (distance) P-C4' energy: -106.926 flat angles C4'-P-C4' energy: -128.662 flat angles P-C4'-P energy: -72.318 tors. eta vs tors. theta energy: -127.638 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: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1231.978646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.978646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.978646 (E_RNA) where: Base-Base interactions energy: -786.223 where: short stacking energy: -350.281 Base-Backbone interact. energy: 3.400 local terms energy: -449.155703 where: bonds (distance) C4'-P energy: -114.188 bonds (distance) P-C4' energy: -106.450 flat angles C4'-P-C4' energy: -99.995 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -55.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1098.173942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.173942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.173942 (E_RNA) where: Base-Base interactions energy: -675.716 where: short stacking energy: -295.417 Base-Backbone interact. energy: 3.027 local terms energy: -425.484685 where: bonds (distance) C4'-P energy: -99.744 bonds (distance) P-C4' energy: -119.015 flat angles C4'-P-C4' energy: -119.543 flat angles P-C4'-P energy: -64.002 tors. eta vs tors. theta energy: -23.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2623.736644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.736644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.736644 (E_RNA) where: Base-Base interactions energy: -1872.164 where: short stacking energy: -762.118 Base-Backbone interact. energy: 0.697 local terms energy: -752.269758 where: bonds (distance) C4'-P energy: -129.339 bonds (distance) P-C4' energy: -131.905 flat angles C4'-P-C4' energy: -156.087 flat angles P-C4'-P energy: -111.370 tors. eta vs tors. theta energy: -223.569 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: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2495.038111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.038111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.038111 (E_RNA) where: Base-Base interactions energy: -1765.279 where: short stacking energy: -734.954 Base-Backbone interact. energy: -2.295 local terms energy: -727.464545 where: bonds (distance) C4'-P energy: -123.319 bonds (distance) P-C4' energy: -134.201 flat angles C4'-P-C4' energy: -151.626 flat angles P-C4'-P energy: -97.125 tors. eta vs tors. theta energy: -221.194 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: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2401.681379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.681379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.681379 (E_RNA) where: Base-Base interactions energy: -1703.251 where: short stacking energy: -692.037 Base-Backbone interact. energy: 0.346 local terms energy: -698.776719 where: bonds (distance) C4'-P energy: -120.655 bonds (distance) P-C4' energy: -109.899 flat angles C4'-P-C4' energy: -147.640 flat angles P-C4'-P energy: -106.952 tors. eta vs tors. theta energy: -213.631 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: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2227.039582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.039582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.039582 (E_RNA) where: Base-Base interactions energy: -1561.480 where: short stacking energy: -646.396 Base-Backbone interact. energy: 1.445 local terms energy: -667.004563 where: bonds (distance) C4'-P energy: -111.768 bonds (distance) P-C4' energy: -139.028 flat angles C4'-P-C4' energy: -135.106 flat angles P-C4'-P energy: -92.344 tors. eta vs tors. theta energy: -188.759 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: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2122.711756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.711756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.711756 (E_RNA) where: Base-Base interactions energy: -1497.854 where: short stacking energy: -600.934 Base-Backbone interact. energy: -0.497 local terms energy: -624.361180 where: bonds (distance) C4'-P energy: -115.127 bonds (distance) P-C4' energy: -120.219 flat angles C4'-P-C4' energy: -139.258 flat angles P-C4'-P energy: -81.658 tors. eta vs tors. theta energy: -168.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1960.468999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.468999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.468999 (E_RNA) where: Base-Base interactions energy: -1364.810 where: short stacking energy: -596.009 Base-Backbone interact. energy: 1.372 local terms energy: -597.031546 where: bonds (distance) C4'-P energy: -107.721 bonds (distance) P-C4' energy: -114.070 flat angles C4'-P-C4' energy: -113.775 flat angles P-C4'-P energy: -92.338 tors. eta vs tors. theta energy: -169.127 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: 81 Temperature: 1.200000 Total energy: -1741.830871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.830871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.830871 (E_RNA) where: Base-Base interactions energy: -1165.185 where: short stacking energy: -526.069 Base-Backbone interact. energy: -2.150 local terms energy: -574.495511 where: bonds (distance) C4'-P energy: -108.213 bonds (distance) P-C4' energy: -109.376 flat angles C4'-P-C4' energy: -138.887 flat angles P-C4'-P energy: -70.464 tors. eta vs tors. theta energy: -147.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1723.745302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.745302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.745302 (E_RNA) where: Base-Base interactions energy: -1190.615 where: short stacking energy: -485.956 Base-Backbone interact. energy: 1.342 local terms energy: -534.471902 where: bonds (distance) C4'-P energy: -109.454 bonds (distance) P-C4' energy: -124.676 flat angles C4'-P-C4' energy: -114.274 flat angles P-C4'-P energy: -64.259 tors. eta vs tors. theta energy: -121.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1242.615540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.615540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.615540 (E_RNA) where: Base-Base interactions energy: -790.630 where: short stacking energy: -335.812 Base-Backbone interact. energy: 5.010 local terms energy: -456.995728 where: bonds (distance) C4'-P energy: -113.165 bonds (distance) P-C4' energy: -108.972 flat angles C4'-P-C4' energy: -102.751 flat angles P-C4'-P energy: -67.483 tors. eta vs tors. theta energy: -64.624 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: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1116.483075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.483075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.483075 (E_RNA) where: Base-Base interactions energy: -685.774 where: short stacking energy: -311.283 Base-Backbone interact. energy: -3.554 local terms energy: -427.155555 where: bonds (distance) C4'-P energy: -104.818 bonds (distance) P-C4' energy: -121.173 flat angles C4'-P-C4' energy: -109.566 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -42.167 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: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2620.324145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.324145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.324145 (E_RNA) where: Base-Base interactions energy: -1865.262 where: short stacking energy: -756.516 Base-Backbone interact. energy: 0.066 local terms energy: -755.128095 where: bonds (distance) C4'-P energy: -131.922 bonds (distance) P-C4' energy: -134.577 flat angles C4'-P-C4' energy: -157.881 flat angles P-C4'-P energy: -104.889 tors. eta vs tors. theta energy: -225.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2518.354284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.354284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.354284 (E_RNA) where: Base-Base interactions energy: -1760.705 where: short stacking energy: -739.145 Base-Backbone interact. energy: 3.501 local terms energy: -761.151012 where: bonds (distance) C4'-P energy: -128.005 bonds (distance) P-C4' energy: -144.880 flat angles C4'-P-C4' energy: -158.779 flat angles P-C4'-P energy: -106.384 tors. eta vs tors. theta energy: -223.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2416.320474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.320474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.320474 (E_RNA) where: Base-Base interactions energy: -1693.888 where: short stacking energy: -707.377 Base-Backbone interact. energy: -3.200 local terms energy: -719.232471 where: bonds (distance) C4'-P energy: -139.389 bonds (distance) P-C4' energy: -132.345 flat angles C4'-P-C4' energy: -136.069 flat angles P-C4'-P energy: -106.272 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: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2269.101243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.101243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.101243 (E_RNA) where: Base-Base interactions energy: -1625.916 where: short stacking energy: -671.202 Base-Backbone interact. energy: 1.627 local terms energy: -644.812306 where: bonds (distance) C4'-P energy: -117.065 bonds (distance) P-C4' energy: -110.744 flat angles C4'-P-C4' energy: -135.461 flat angles P-C4'-P energy: -88.849 tors. eta vs tors. theta energy: -192.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2152.763209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.763209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.763209 (E_RNA) where: Base-Base interactions energy: -1529.456 where: short stacking energy: -632.822 Base-Backbone interact. energy: -2.926 local terms energy: -620.381556 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -116.988 flat angles C4'-P-C4' energy: -125.435 flat angles P-C4'-P energy: -96.862 tors. eta vs tors. theta energy: -179.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1964.100975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.100975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.100975 (E_RNA) where: Base-Base interactions energy: -1317.111 where: short stacking energy: -577.654 Base-Backbone interact. energy: -5.429 local terms energy: -641.560426 where: bonds (distance) C4'-P energy: -130.992 bonds (distance) P-C4' energy: -121.293 flat angles C4'-P-C4' energy: -138.784 flat angles P-C4'-P energy: -83.190 tors. eta vs tors. theta energy: -167.301 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: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1759.789295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.789295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.789295 (E_RNA) where: Base-Base interactions energy: -1182.880 where: short stacking energy: -506.789 Base-Backbone interact. energy: -0.137 local terms energy: -576.773111 where: bonds (distance) C4'-P energy: -105.324 bonds (distance) P-C4' energy: -123.772 flat angles C4'-P-C4' energy: -127.988 flat angles P-C4'-P energy: -81.530 tors. eta vs tors. theta energy: -138.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1748.494027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.494027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.494027 (E_RNA) where: Base-Base interactions energy: -1212.425 where: short stacking energy: -511.817 Base-Backbone interact. energy: 0.638 local terms energy: -536.707587 where: bonds (distance) C4'-P energy: -108.974 bonds (distance) P-C4' energy: -114.046 flat angles C4'-P-C4' energy: -109.257 flat angles P-C4'-P energy: -83.790 tors. eta vs tors. theta energy: -120.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1242.090514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.090514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.090514 (E_RNA) where: Base-Base interactions energy: -826.039 where: short stacking energy: -346.314 Base-Backbone interact. energy: 4.052 local terms energy: -420.104087 where: bonds (distance) C4'-P energy: -113.241 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -96.829 flat angles P-C4'-P energy: -61.552 tors. eta vs tors. theta energy: -37.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1173.063328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.063328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.063328 (E_RNA) where: Base-Base interactions energy: -733.828 where: short stacking energy: -280.391 Base-Backbone interact. energy: 3.292 local terms energy: -442.526771 where: bonds (distance) C4'-P energy: -131.237 bonds (distance) P-C4' energy: -90.334 flat angles C4'-P-C4' energy: -97.830 flat angles P-C4'-P energy: -67.326 tors. eta vs tors. theta energy: -55.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2625.245046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.245046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.245046 (E_RNA) where: Base-Base interactions energy: -1853.169 where: short stacking energy: -745.958 Base-Backbone interact. energy: -0.138 local terms energy: -771.937472 where: bonds (distance) C4'-P energy: -139.225 bonds (distance) P-C4' energy: -140.707 flat angles C4'-P-C4' energy: -162.106 flat angles P-C4'-P energy: -98.950 tors. eta vs tors. theta energy: -230.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2526.716501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.716501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.716501 (E_RNA) where: Base-Base interactions energy: -1761.038 where: short stacking energy: -729.242 Base-Backbone interact. energy: -1.562 local terms energy: -764.116515 where: bonds (distance) C4'-P energy: -142.801 bonds (distance) P-C4' energy: -135.889 flat angles C4'-P-C4' energy: -154.580 flat angles P-C4'-P energy: -115.698 tors. eta vs tors. theta energy: -215.149 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: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2401.820286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.820286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.820286 (E_RNA) where: Base-Base interactions energy: -1702.233 where: short stacking energy: -695.067 Base-Backbone interact. energy: 2.950 local terms energy: -702.537954 where: bonds (distance) C4'-P energy: -127.165 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -137.793 flat angles P-C4'-P energy: -91.888 tors. eta vs tors. theta energy: -210.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2284.065487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.065487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.065487 (E_RNA) where: Base-Base interactions energy: -1579.466 where: short stacking energy: -666.382 Base-Backbone interact. energy: -0.697 local terms energy: -703.902228 where: bonds (distance) C4'-P energy: -135.326 bonds (distance) P-C4' energy: -128.742 flat angles C4'-P-C4' energy: -146.531 flat angles P-C4'-P energy: -92.766 tors. eta vs tors. theta energy: -200.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2136.880068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.880068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.880068 (E_RNA) where: Base-Base interactions energy: -1529.158 where: short stacking energy: -658.193 Base-Backbone interact. energy: -1.449 local terms energy: -606.273452 where: bonds (distance) C4'-P energy: -97.778 bonds (distance) P-C4' energy: -110.559 flat angles C4'-P-C4' energy: -139.703 flat angles P-C4'-P energy: -87.425 tors. eta vs tors. theta energy: -170.808 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: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1942.757240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.757240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.757240 (E_RNA) where: Base-Base interactions energy: -1328.670 where: short stacking energy: -577.650 Base-Backbone interact. energy: -1.143 local terms energy: -612.944177 where: bonds (distance) C4'-P energy: -103.550 bonds (distance) P-C4' energy: -117.946 flat angles C4'-P-C4' energy: -142.858 flat angles P-C4'-P energy: -93.430 tors. eta vs tors. theta energy: -155.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1784.771973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.771973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.771973 (E_RNA) where: Base-Base interactions energy: -1164.236 where: short stacking energy: -514.645 Base-Backbone interact. energy: -1.829 local terms energy: -618.706732 where: bonds (distance) C4'-P energy: -124.502 bonds (distance) P-C4' energy: -124.303 flat angles C4'-P-C4' energy: -147.818 flat angles P-C4'-P energy: -74.950 tors. eta vs tors. theta energy: -147.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1763.092234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.092234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.092234 (E_RNA) where: Base-Base interactions energy: -1229.524 where: short stacking energy: -475.885 Base-Backbone interact. energy: -1.360 local terms energy: -532.208668 where: bonds (distance) C4'-P energy: -119.645 bonds (distance) P-C4' energy: -118.239 flat angles C4'-P-C4' energy: -113.841 flat angles P-C4'-P energy: -60.109 tors. eta vs tors. theta energy: -120.375 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: 9, replica: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1362.594559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.594559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.594559 (E_RNA) where: Base-Base interactions energy: -911.800 where: short stacking energy: -388.855 Base-Backbone interact. energy: -1.052 local terms energy: -449.742353 where: bonds (distance) C4'-P energy: -87.377 bonds (distance) P-C4' energy: -103.297 flat angles C4'-P-C4' energy: -122.783 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: -65.407 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: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1177.674882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.674882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.674882 (E_RNA) where: Base-Base interactions energy: -750.905 where: short stacking energy: -332.538 Base-Backbone interact. energy: 1.276 local terms energy: -428.045507 where: bonds (distance) C4'-P energy: -104.942 bonds (distance) P-C4' energy: -117.357 flat angles C4'-P-C4' energy: -107.730 flat angles P-C4'-P energy: -41.780 tors. eta vs tors. theta energy: -56.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2615.150216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.150216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.150216 (E_RNA) where: Base-Base interactions energy: -1871.856 where: short stacking energy: -753.956 Base-Backbone interact. energy: 1.880 local terms energy: -745.173630 where: bonds (distance) C4'-P energy: -129.517 bonds (distance) P-C4' energy: -134.120 flat angles C4'-P-C4' energy: -154.755 flat angles P-C4'-P energy: -101.522 tors. eta vs tors. theta energy: -225.260 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: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2516.202543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.202543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.202543 (E_RNA) where: Base-Base interactions energy: -1777.616 where: short stacking energy: -739.864 Base-Backbone interact. energy: 8.607 local terms energy: -747.192913 where: bonds (distance) C4'-P energy: -123.535 bonds (distance) P-C4' energy: -138.305 flat angles C4'-P-C4' energy: -158.039 flat angles P-C4'-P energy: -112.500 tors. eta vs tors. theta energy: -214.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2320.556380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.556380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.556380 (E_RNA) where: Base-Base interactions energy: -1628.476 where: short stacking energy: -698.262 Base-Backbone interact. energy: -2.583 local terms energy: -689.497231 where: bonds (distance) C4'-P energy: -116.426 bonds (distance) P-C4' energy: -116.856 flat angles C4'-P-C4' energy: -150.398 flat angles P-C4'-P energy: -104.381 tors. eta vs tors. theta energy: -201.436 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: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2331.319407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.319407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.319407 (E_RNA) where: Base-Base interactions energy: -1643.176 where: short stacking energy: -687.320 Base-Backbone interact. energy: -3.276 local terms energy: -684.867302 where: bonds (distance) C4'-P energy: -117.426 bonds (distance) P-C4' energy: -109.457 flat angles C4'-P-C4' energy: -146.136 flat angles P-C4'-P energy: -106.178 tors. eta vs tors. theta energy: -205.670 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: 84 Temperature: 1.100000 Total energy: -2159.801509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.801509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.801509 (E_RNA) where: Base-Base interactions energy: -1502.407 where: short stacking energy: -635.705 Base-Backbone interact. energy: -0.954 local terms energy: -656.440048 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -127.978 flat angles C4'-P-C4' energy: -131.624 flat angles P-C4'-P energy: -99.708 tors. eta vs tors. theta energy: -176.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1916.407111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.407111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.407111 (E_RNA) where: Base-Base interactions energy: -1292.631 where: short stacking energy: -556.924 Base-Backbone interact. energy: -2.289 local terms energy: -621.486563 where: bonds (distance) C4'-P energy: -117.547 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -130.739 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -157.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1874.812933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.812933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.812933 (E_RNA) where: Base-Base interactions energy: -1312.360 where: short stacking energy: -544.345 Base-Backbone interact. energy: -1.451 local terms energy: -561.001151 where: bonds (distance) C4'-P energy: -107.081 bonds (distance) P-C4' energy: -108.358 flat angles C4'-P-C4' energy: -128.700 flat angles P-C4'-P energy: -76.825 tors. eta vs tors. theta energy: -140.036 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: 8, replica: 3 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1682.695613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.695613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.695613 (E_RNA) where: Base-Base interactions energy: -1137.899 where: short stacking energy: -485.525 Base-Backbone interact. energy: 5.666 local terms energy: -550.462538 where: bonds (distance) C4'-P energy: -100.435 bonds (distance) P-C4' energy: -126.234 flat angles C4'-P-C4' energy: -119.909 flat angles P-C4'-P energy: -64.079 tors. eta vs tors. theta energy: -139.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1443.498460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.498460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.498460 (E_RNA) where: Base-Base interactions energy: -971.357 where: short stacking energy: -396.775 Base-Backbone interact. energy: 4.090 local terms energy: -476.231529 where: bonds (distance) C4'-P energy: -89.109 bonds (distance) P-C4' energy: -115.970 flat angles C4'-P-C4' energy: -112.030 flat angles P-C4'-P energy: -73.928 tors. eta vs tors. theta energy: -85.194 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: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1101.922068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.922068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.922068 (E_RNA) where: Base-Base interactions energy: -664.181 where: short stacking energy: -299.738 Base-Backbone interact. energy: -0.116 local terms energy: -437.625561 where: bonds (distance) C4'-P energy: -102.909 bonds (distance) P-C4' energy: -113.025 flat angles C4'-P-C4' energy: -108.803 flat angles P-C4'-P energy: -68.842 tors. eta vs tors. theta energy: -44.046 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: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2631.700566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.700566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.700566 (E_RNA) where: Base-Base interactions energy: -1875.143 where: short stacking energy: -741.499 Base-Backbone interact. energy: -2.680 local terms energy: -753.878003 where: bonds (distance) C4'-P energy: -130.306 bonds (distance) P-C4' energy: -140.951 flat angles C4'-P-C4' energy: -154.175 flat angles P-C4'-P energy: -102.606 tors. eta vs tors. theta energy: -225.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2537.289423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.289423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.289423 (E_RNA) where: Base-Base interactions energy: -1797.944 where: short stacking energy: -746.105 Base-Backbone interact. energy: -3.476 local terms energy: -735.869414 where: bonds (distance) C4'-P energy: -126.459 bonds (distance) P-C4' energy: -133.829 flat angles C4'-P-C4' energy: -147.408 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -229.679 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: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2361.299945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.299945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.299945 (E_RNA) where: Base-Base interactions energy: -1656.884 where: short stacking energy: -702.024 Base-Backbone interact. energy: -2.055 local terms energy: -702.360655 where: bonds (distance) C4'-P energy: -121.669 bonds (distance) P-C4' energy: -129.098 flat angles C4'-P-C4' energy: -159.539 flat angles P-C4'-P energy: -90.928 tors. eta vs tors. theta energy: -201.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2333.945375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.945375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.945375 (E_RNA) where: Base-Base interactions energy: -1627.873 where: short stacking energy: -669.105 Base-Backbone interact. energy: -1.398 local terms energy: -704.673877 where: bonds (distance) C4'-P energy: -122.894 bonds (distance) P-C4' energy: -122.612 flat angles C4'-P-C4' energy: -153.564 flat angles P-C4'-P energy: -103.175 tors. eta vs tors. theta energy: -202.428 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: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2141.508515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.508515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.508515 (E_RNA) where: Base-Base interactions energy: -1513.344 where: short stacking energy: -610.489 Base-Backbone interact. energy: -3.167 local terms energy: -624.997471 where: bonds (distance) C4'-P energy: -111.986 bonds (distance) P-C4' energy: -124.933 flat angles C4'-P-C4' energy: -131.441 flat angles P-C4'-P energy: -82.733 tors. eta vs tors. theta energy: -173.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1930.104689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.104689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.104689 (E_RNA) where: Base-Base interactions energy: -1315.645 where: short stacking energy: -577.056 Base-Backbone interact. energy: -1.812 local terms energy: -612.647602 where: bonds (distance) C4'-P energy: -101.692 bonds (distance) P-C4' energy: -117.704 flat angles C4'-P-C4' energy: -143.133 flat angles P-C4'-P energy: -87.962 tors. eta vs tors. theta energy: -162.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1945.931250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.931250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.931250 (E_RNA) where: Base-Base interactions energy: -1365.210 where: short stacking energy: -569.805 Base-Backbone interact. energy: 7.355 local terms energy: -588.076334 where: bonds (distance) C4'-P energy: -113.120 bonds (distance) P-C4' energy: -119.224 flat angles C4'-P-C4' energy: -122.936 flat angles P-C4'-P energy: -75.707 tors. eta vs tors. theta energy: -157.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1687.045275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.045275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.045275 (E_RNA) where: Base-Base interactions energy: -1181.099 where: short stacking energy: -480.280 Base-Backbone interact. energy: -0.874 local terms energy: -505.072285 where: bonds (distance) C4'-P energy: -103.379 bonds (distance) P-C4' energy: -110.586 flat angles C4'-P-C4' energy: -106.915 flat angles P-C4'-P energy: -55.654 tors. eta vs tors. theta energy: -128.538 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: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1455.479388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.479388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.479388 (E_RNA) where: Base-Base interactions energy: -986.845 where: short stacking energy: -416.120 Base-Backbone interact. energy: -0.580 local terms energy: -468.054145 where: bonds (distance) C4'-P energy: -97.286 bonds (distance) P-C4' energy: -98.578 flat angles C4'-P-C4' energy: -118.077 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -100.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1095.727122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.727122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.727122 (E_RNA) where: Base-Base interactions energy: -673.449 where: short stacking energy: -306.148 Base-Backbone interact. energy: 1.649 local terms energy: -423.926630 where: bonds (distance) C4'-P energy: -95.614 bonds (distance) P-C4' energy: -105.647 flat angles C4'-P-C4' energy: -113.771 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -44.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2620.798649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.798649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.798649 (E_RNA) where: Base-Base interactions energy: -1858.588 where: short stacking energy: -753.436 Base-Backbone interact. energy: -0.389 local terms energy: -761.821378 where: bonds (distance) C4'-P energy: -129.970 bonds (distance) P-C4' energy: -144.610 flat angles C4'-P-C4' energy: -162.635 flat angles P-C4'-P energy: -99.469 tors. eta vs tors. theta energy: -225.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2511.479161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.479161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.479161 (E_RNA) where: Base-Base interactions energy: -1762.936 where: short stacking energy: -719.410 Base-Backbone interact. energy: -0.509 local terms energy: -748.033911 where: bonds (distance) C4'-P energy: -127.511 bonds (distance) P-C4' energy: -130.703 flat angles C4'-P-C4' energy: -155.217 flat angles P-C4'-P energy: -114.620 tors. eta vs tors. theta energy: -219.983 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: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2372.495391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.495391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.495391 (E_RNA) where: Base-Base interactions energy: -1676.675 where: short stacking energy: -684.224 Base-Backbone interact. energy: -1.753 local terms energy: -694.067122 where: bonds (distance) C4'-P energy: -122.568 bonds (distance) P-C4' energy: -118.103 flat angles C4'-P-C4' energy: -161.013 flat angles P-C4'-P energy: -97.547 tors. eta vs tors. theta energy: -194.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2287.631589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.631589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.631589 (E_RNA) where: Base-Base interactions energy: -1611.062 where: short stacking energy: -663.368 Base-Backbone interact. energy: -2.323 local terms energy: -674.245983 where: bonds (distance) C4'-P energy: -108.577 bonds (distance) P-C4' energy: -120.919 flat angles C4'-P-C4' energy: -150.686 flat angles P-C4'-P energy: -100.535 tors. eta vs tors. theta energy: -193.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2178.617904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.617904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.617904 (E_RNA) where: Base-Base interactions energy: -1528.267 where: short stacking energy: -629.274 Base-Backbone interact. energy: 1.156 local terms energy: -651.507008 where: bonds (distance) C4'-P energy: -129.663 bonds (distance) P-C4' energy: -114.610 flat angles C4'-P-C4' energy: -146.180 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -185.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1987.290969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.290969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.290969 (E_RNA) where: Base-Base interactions energy: -1350.559 where: short stacking energy: -566.045 Base-Backbone interact. energy: -1.640 local terms energy: -635.092508 where: bonds (distance) C4'-P energy: -112.618 bonds (distance) P-C4' energy: -133.336 flat angles C4'-P-C4' energy: -145.833 flat angles P-C4'-P energy: -89.258 tors. eta vs tors. theta energy: -154.047 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: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1971.517633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.517633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.517633 (E_RNA) where: Base-Base interactions energy: -1370.402 where: short stacking energy: -554.601 Base-Backbone interact. energy: -2.924 local terms energy: -598.191350 where: bonds (distance) C4'-P energy: -120.689 bonds (distance) P-C4' energy: -109.299 flat angles C4'-P-C4' energy: -138.327 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -154.719 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: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1702.302538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.302538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.302538 (E_RNA) where: Base-Base interactions energy: -1172.447 where: short stacking energy: -485.397 Base-Backbone interact. energy: -3.206 local terms energy: -526.650079 where: bonds (distance) C4'-P energy: -106.339 bonds (distance) P-C4' energy: -98.552 flat angles C4'-P-C4' energy: -127.877 flat angles P-C4'-P energy: -70.520 tors. eta vs tors. theta energy: -123.362 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: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1531.327460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.327460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.327460 (E_RNA) where: Base-Base interactions energy: -1055.536 where: short stacking energy: -425.441 Base-Backbone interact. energy: 2.864 local terms energy: -478.654871 where: bonds (distance) C4'-P energy: -125.904 bonds (distance) P-C4' energy: -114.189 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -80.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1124.122455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.122455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.122455 (E_RNA) where: Base-Base interactions energy: -706.044 where: short stacking energy: -316.646 Base-Backbone interact. energy: 1.651 local terms energy: -419.729455 where: bonds (distance) C4'-P energy: -97.771 bonds (distance) P-C4' energy: -99.759 flat angles C4'-P-C4' energy: -109.456 flat angles P-C4'-P energy: -61.619 tors. eta vs tors. theta energy: -51.124 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: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2612.425231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.425231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.425231 (E_RNA) where: Base-Base interactions energy: -1836.222 where: short stacking energy: -748.818 Base-Backbone interact. energy: 0.581 local terms energy: -776.784295 where: bonds (distance) C4'-P energy: -131.803 bonds (distance) P-C4' energy: -142.725 flat angles C4'-P-C4' energy: -160.422 flat angles P-C4'-P energy: -110.501 tors. eta vs tors. theta energy: -231.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2479.866175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.866175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.866175 (E_RNA) where: Base-Base interactions energy: -1755.977 where: short stacking energy: -716.110 Base-Backbone interact. energy: -0.906 local terms energy: -722.982700 where: bonds (distance) C4'-P energy: -124.352 bonds (distance) P-C4' energy: -135.893 flat angles C4'-P-C4' energy: -147.406 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -218.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2401.397489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.397489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.397489 (E_RNA) where: Base-Base interactions energy: -1688.604 where: short stacking energy: -680.714 Base-Backbone interact. energy: -0.929 local terms energy: -711.865186 where: bonds (distance) C4'-P energy: -129.864 bonds (distance) P-C4' energy: -134.905 flat angles C4'-P-C4' energy: -150.831 flat angles P-C4'-P energy: -93.460 tors. eta vs tors. theta energy: -202.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2291.453474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.453474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.453474 (E_RNA) where: Base-Base interactions energy: -1624.792 where: short stacking energy: -678.264 Base-Backbone interact. energy: -3.218 local terms energy: -663.443196 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -145.254 flat angles P-C4'-P energy: -76.501 tors. eta vs tors. theta energy: -199.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2157.324236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.324236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.324236 (E_RNA) where: Base-Base interactions energy: -1507.947 where: short stacking energy: -642.753 Base-Backbone interact. energy: -2.906 local terms energy: -646.471054 where: bonds (distance) C4'-P energy: -119.198 bonds (distance) P-C4' energy: -114.395 flat angles C4'-P-C4' energy: -131.561 flat angles P-C4'-P energy: -92.035 tors. eta vs tors. theta energy: -189.282 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: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2108.006807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.006807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.006807 (E_RNA) where: Base-Base interactions energy: -1471.503 where: short stacking energy: -600.422 Base-Backbone interact. energy: -1.903 local terms energy: -634.601083 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -114.230 flat angles C4'-P-C4' energy: -144.266 flat angles P-C4'-P energy: -95.301 tors. eta vs tors. theta energy: -155.329 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: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1882.322056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.322056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.322056 (E_RNA) where: Base-Base interactions energy: -1313.106 where: short stacking energy: -540.896 Base-Backbone interact. energy: 0.960 local terms energy: -570.175207 where: bonds (distance) C4'-P energy: -112.292 bonds (distance) P-C4' energy: -109.389 flat angles C4'-P-C4' energy: -121.386 flat angles P-C4'-P energy: -74.896 tors. eta vs tors. theta energy: -152.213 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: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1684.266487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.266487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.266487 (E_RNA) where: Base-Base interactions energy: -1123.501 where: short stacking energy: -476.269 Base-Backbone interact. energy: -2.239 local terms energy: -558.526411 where: bonds (distance) C4'-P energy: -106.786 bonds (distance) P-C4' energy: -102.043 flat angles C4'-P-C4' energy: -132.988 flat angles P-C4'-P energy: -85.313 tors. eta vs tors. theta energy: -131.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1494.954266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.954266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.954266 (E_RNA) where: Base-Base interactions energy: -1029.442 where: short stacking energy: -434.281 Base-Backbone interact. energy: -4.123 local terms energy: -461.389227 where: bonds (distance) C4'-P energy: -93.951 bonds (distance) P-C4' energy: -97.103 flat angles C4'-P-C4' energy: -102.610 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -101.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1132.454735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.454735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.454735 (E_RNA) where: Base-Base interactions energy: -701.508 where: short stacking energy: -329.119 Base-Backbone interact. energy: 0.278 local terms energy: -431.224538 where: bonds (distance) C4'-P energy: -100.506 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -108.051 flat angles P-C4'-P energy: -60.056 tors. eta vs tors. theta energy: -51.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2626.854256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.854256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.854256 (E_RNA) where: Base-Base interactions energy: -1858.465 where: short stacking energy: -759.309 Base-Backbone interact. energy: 0.285 local terms energy: -768.674842 where: bonds (distance) C4'-P energy: -130.185 bonds (distance) P-C4' energy: -135.305 flat angles C4'-P-C4' energy: -162.875 flat angles P-C4'-P energy: -106.231 tors. eta vs tors. theta energy: -234.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2493.788116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.788116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.788116 (E_RNA) where: Base-Base interactions energy: -1765.035 where: short stacking energy: -706.410 Base-Backbone interact. energy: -3.668 local terms energy: -725.085205 where: bonds (distance) C4'-P energy: -117.111 bonds (distance) P-C4' energy: -137.091 flat angles C4'-P-C4' energy: -154.177 flat angles P-C4'-P energy: -106.088 tors. eta vs tors. theta energy: -210.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2441.824837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.824837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.824837 (E_RNA) where: Base-Base interactions energy: -1729.233 where: short stacking energy: -703.554 Base-Backbone interact. energy: -2.338 local terms energy: -710.254655 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -116.435 flat angles C4'-P-C4' energy: -147.906 flat angles P-C4'-P energy: -89.846 tors. eta vs tors. theta energy: -211.885 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: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2291.168074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.168074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.168074 (E_RNA) where: Base-Base interactions energy: -1600.236 where: short stacking energy: -646.244 Base-Backbone interact. energy: 0.016 local terms energy: -690.947780 where: bonds (distance) C4'-P energy: -124.128 bonds (distance) P-C4' energy: -136.101 flat angles C4'-P-C4' energy: -143.527 flat angles P-C4'-P energy: -89.117 tors. eta vs tors. theta energy: -198.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2170.518566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.518566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.518566 (E_RNA) where: Base-Base interactions energy: -1535.888 where: short stacking energy: -637.369 Base-Backbone interact. energy: -2.560 local terms energy: -632.070881 where: bonds (distance) C4'-P energy: -112.421 bonds (distance) P-C4' energy: -117.411 flat angles C4'-P-C4' energy: -132.197 flat angles P-C4'-P energy: -88.466 tors. eta vs tors. theta energy: -181.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2162.999016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.999016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.999016 (E_RNA) where: Base-Base interactions energy: -1501.965 where: short stacking energy: -588.287 Base-Backbone interact. energy: -2.597 local terms energy: -658.437689 where: bonds (distance) C4'-P energy: -129.931 bonds (distance) P-C4' energy: -119.852 flat angles C4'-P-C4' energy: -142.342 flat angles P-C4'-P energy: -95.430 tors. eta vs tors. theta energy: -170.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1874.888649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.888649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.888649 (E_RNA) where: Base-Base interactions energy: -1284.867 where: short stacking energy: -535.400 Base-Backbone interact. energy: -2.803 local terms energy: -587.219244 where: bonds (distance) C4'-P energy: -113.159 bonds (distance) P-C4' energy: -118.873 flat angles C4'-P-C4' energy: -124.728 flat angles P-C4'-P energy: -84.258 tors. eta vs tors. theta energy: -146.201 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: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1695.291642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.291642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.291642 (E_RNA) where: Base-Base interactions energy: -1143.066 where: short stacking energy: -469.958 Base-Backbone interact. energy: -0.137 local terms energy: -552.088939 where: bonds (distance) C4'-P energy: -102.810 bonds (distance) P-C4' energy: -129.463 flat angles C4'-P-C4' energy: -122.671 flat angles P-C4'-P energy: -73.419 tors. eta vs tors. theta energy: -123.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1498.207757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.207757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.207757 (E_RNA) where: Base-Base interactions energy: -1011.300 where: short stacking energy: -435.627 Base-Backbone interact. energy: -2.141 local terms energy: -484.766024 where: bonds (distance) C4'-P energy: -104.519 bonds (distance) P-C4' energy: -121.260 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: -77.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1053.720462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.720462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.720462 (E_RNA) where: Base-Base interactions energy: -653.069 where: short stacking energy: -282.666 Base-Backbone interact. energy: -0.787 local terms energy: -399.864791 where: bonds (distance) C4'-P energy: -91.787 bonds (distance) P-C4' energy: -110.999 flat angles C4'-P-C4' energy: -89.358 flat angles P-C4'-P energy: -54.884 tors. eta vs tors. theta energy: -52.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2615.895690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.895690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.895690 (E_RNA) where: Base-Base interactions energy: -1849.928 where: short stacking energy: -737.109 Base-Backbone interact. energy: -2.305 local terms energy: -763.663244 where: bonds (distance) C4'-P energy: -141.637 bonds (distance) P-C4' energy: -137.290 flat angles C4'-P-C4' energy: -156.142 flat angles P-C4'-P energy: -102.439 tors. eta vs tors. theta energy: -226.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2473.064826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.064826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.064826 (E_RNA) where: Base-Base interactions energy: -1751.366 where: short stacking energy: -717.256 Base-Backbone interact. energy: -2.315 local terms energy: -719.383558 where: bonds (distance) C4'-P energy: -135.729 bonds (distance) P-C4' energy: -129.726 flat angles C4'-P-C4' energy: -142.609 flat angles P-C4'-P energy: -98.328 tors. eta vs tors. theta energy: -212.991 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: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2436.674729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.674729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.674729 (E_RNA) where: Base-Base interactions energy: -1730.496 where: short stacking energy: -691.572 Base-Backbone interact. energy: -2.994 local terms energy: -703.184945 where: bonds (distance) C4'-P energy: -132.918 bonds (distance) P-C4' energy: -139.630 flat angles C4'-P-C4' energy: -137.368 flat angles P-C4'-P energy: -92.220 tors. eta vs tors. theta energy: -201.048 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: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2297.915943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.915943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.915943 (E_RNA) where: Base-Base interactions energy: -1615.508 where: short stacking energy: -669.188 Base-Backbone interact. energy: -1.100 local terms energy: -681.308426 where: bonds (distance) C4'-P energy: -126.536 bonds (distance) P-C4' energy: -137.058 flat angles C4'-P-C4' energy: -144.688 flat angles P-C4'-P energy: -77.819 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: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2082.862072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.862072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.862072 (E_RNA) where: Base-Base interactions energy: -1444.082 where: short stacking energy: -617.468 Base-Backbone interact. energy: 1.683 local terms energy: -640.463106 where: bonds (distance) C4'-P energy: -111.451 bonds (distance) P-C4' energy: -128.058 flat angles C4'-P-C4' energy: -139.368 flat angles P-C4'-P energy: -103.362 tors. eta vs tors. theta energy: -158.224 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: 6, replica: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2171.056638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.056638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.056638 (E_RNA) where: Base-Base interactions energy: -1548.631 where: short stacking energy: -597.318 Base-Backbone interact. energy: -1.045 local terms energy: -621.380783 where: bonds (distance) C4'-P energy: -106.610 bonds (distance) P-C4' energy: -121.209 flat angles C4'-P-C4' energy: -133.954 flat angles P-C4'-P energy: -87.024 tors. eta vs tors. theta energy: -172.583 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: 89 Temperature: 1.200000 Total energy: -1835.650492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.650492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.650492 (E_RNA) where: Base-Base interactions energy: -1256.384 where: short stacking energy: -559.841 Base-Backbone interact. energy: -0.965 local terms energy: -578.300610 where: bonds (distance) C4'-P energy: -111.627 bonds (distance) P-C4' energy: -114.337 flat angles C4'-P-C4' energy: -133.358 flat angles P-C4'-P energy: -81.256 tors. eta vs tors. theta energy: -137.723 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: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1620.368733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.368733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.368733 (E_RNA) where: Base-Base interactions energy: -1104.214 where: short stacking energy: -463.970 Base-Backbone interact. energy: -1.103 local terms energy: -515.052033 where: bonds (distance) C4'-P energy: -106.836 bonds (distance) P-C4' energy: -102.230 flat angles C4'-P-C4' energy: -116.292 flat angles P-C4'-P energy: -69.108 tors. eta vs tors. theta energy: -120.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1470.629833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.629833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.629833 (E_RNA) where: Base-Base interactions energy: -994.153 where: short stacking energy: -407.099 Base-Backbone interact. energy: -0.185 local terms energy: -476.291964 where: bonds (distance) C4'-P energy: -93.043 bonds (distance) P-C4' energy: -94.848 flat angles C4'-P-C4' energy: -113.380 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: -108.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1070.578306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.578306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.578306 (E_RNA) where: Base-Base interactions energy: -656.429 where: short stacking energy: -319.274 Base-Backbone interact. energy: -2.309 local terms energy: -411.841021 where: bonds (distance) C4'-P energy: -97.922 bonds (distance) P-C4' energy: -117.809 flat angles C4'-P-C4' energy: -104.758 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -44.687 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: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2624.593936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.593936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.593936 (E_RNA) where: Base-Base interactions energy: -1854.927 where: short stacking energy: -750.109 Base-Backbone interact. energy: -0.876 local terms energy: -768.791768 where: bonds (distance) C4'-P energy: -131.434 bonds (distance) P-C4' energy: -136.753 flat angles C4'-P-C4' energy: -168.282 flat angles P-C4'-P energy: -102.955 tors. eta vs tors. theta energy: -229.368 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: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2470.885460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.885460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.885460 (E_RNA) where: Base-Base interactions energy: -1751.161 where: short stacking energy: -739.835 Base-Backbone interact. energy: -0.847 local terms energy: -718.876608 where: bonds (distance) C4'-P energy: -125.994 bonds (distance) P-C4' energy: -128.908 flat angles C4'-P-C4' energy: -151.589 flat angles P-C4'-P energy: -98.302 tors. eta vs tors. theta energy: -214.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2395.440262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.440262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.440262 (E_RNA) where: Base-Base interactions energy: -1686.160 where: short stacking energy: -679.861 Base-Backbone interact. energy: -2.150 local terms energy: -707.130499 where: bonds (distance) C4'-P energy: -129.500 bonds (distance) P-C4' energy: -105.341 flat angles C4'-P-C4' energy: -153.026 flat angles P-C4'-P energy: -111.404 tors. eta vs tors. theta energy: -207.860 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: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2360.516567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.516567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.516567 (E_RNA) where: Base-Base interactions energy: -1683.753 where: short stacking energy: -708.628 Base-Backbone interact. energy: -2.207 local terms energy: -674.556685 where: bonds (distance) C4'-P energy: -120.732 bonds (distance) P-C4' energy: -113.009 flat angles C4'-P-C4' energy: -153.488 flat angles P-C4'-P energy: -87.904 tors. eta vs tors. theta energy: -199.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2245.041162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.041162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.041162 (E_RNA) where: Base-Base interactions energy: -1611.667 where: short stacking energy: -664.843 Base-Backbone interact. energy: 4.085 local terms energy: -637.459758 where: bonds (distance) C4'-P energy: -96.156 bonds (distance) P-C4' energy: -122.696 flat angles C4'-P-C4' energy: -146.920 flat angles P-C4'-P energy: -84.018 tors. eta vs tors. theta energy: -187.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2012.939160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.939160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.939160 (E_RNA) where: Base-Base interactions energy: -1400.235 where: short stacking energy: -596.422 Base-Backbone interact. energy: -2.397 local terms energy: -610.307910 where: bonds (distance) C4'-P energy: -103.886 bonds (distance) P-C4' energy: -105.277 flat angles C4'-P-C4' energy: -146.052 flat angles P-C4'-P energy: -83.690 tors. eta vs tors. theta energy: -171.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1868.501002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.501002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.501002 (E_RNA) where: Base-Base interactions energy: -1271.392 where: short stacking energy: -533.123 Base-Backbone interact. energy: -4.077 local terms energy: -593.031922 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -123.632 flat angles C4'-P-C4' energy: -112.188 flat angles P-C4'-P energy: -89.009 tors. eta vs tors. theta energy: -160.541 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: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1636.829924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.829924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.829924 (E_RNA) where: Base-Base interactions energy: -1137.706 where: short stacking energy: -456.112 Base-Backbone interact. energy: -1.544 local terms energy: -497.579656 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -94.326 flat angles C4'-P-C4' energy: -115.206 flat angles P-C4'-P energy: -72.423 tors. eta vs tors. theta energy: -108.012 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: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1423.664949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.664949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.664949 (E_RNA) where: Base-Base interactions energy: -934.368 where: short stacking energy: -418.954 Base-Backbone interact. energy: 4.010 local terms energy: -493.307458 where: bonds (distance) C4'-P energy: -94.048 bonds (distance) P-C4' energy: -112.273 flat angles C4'-P-C4' energy: -107.001 flat angles P-C4'-P energy: -75.299 tors. eta vs tors. theta energy: -104.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -994.161332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.161332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.161332 (E_RNA) where: Base-Base interactions energy: -598.624 where: short stacking energy: -283.519 Base-Backbone interact. energy: 0.459 local terms energy: -395.995534 where: bonds (distance) C4'-P energy: -103.431 bonds (distance) P-C4' energy: -114.912 flat angles C4'-P-C4' energy: -80.484 flat angles P-C4'-P energy: -60.195 tors. eta vs tors. theta energy: -36.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2615.310788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.310788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.310788 (E_RNA) where: Base-Base interactions energy: -1867.288 where: short stacking energy: -737.907 Base-Backbone interact. energy: -0.846 local terms energy: -747.176522 where: bonds (distance) C4'-P energy: -132.839 bonds (distance) P-C4' energy: -138.689 flat angles C4'-P-C4' energy: -144.269 flat angles P-C4'-P energy: -106.189 tors. eta vs tors. theta energy: -225.191 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: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2450.713481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.713481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.713481 (E_RNA) where: Base-Base interactions energy: -1733.057 where: short stacking energy: -704.342 Base-Backbone interact. energy: -0.334 local terms energy: -717.322371 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -132.573 flat angles C4'-P-C4' energy: -154.068 flat angles P-C4'-P energy: -106.325 tors. eta vs tors. theta energy: -201.839 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: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2440.078251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.078251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.078251 (E_RNA) where: Base-Base interactions energy: -1713.981 where: short stacking energy: -713.574 Base-Backbone interact. energy: -2.011 local terms energy: -724.085556 where: bonds (distance) C4'-P energy: -116.411 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -153.034 flat angles P-C4'-P energy: -101.440 tors. eta vs tors. theta energy: -216.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2312.355920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.355920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.355920 (E_RNA) where: Base-Base interactions energy: -1639.055 where: short stacking energy: -687.753 Base-Backbone interact. energy: 3.798 local terms energy: -677.098763 where: bonds (distance) C4'-P energy: -121.697 bonds (distance) P-C4' energy: -122.406 flat angles C4'-P-C4' energy: -152.275 flat angles P-C4'-P energy: -88.767 tors. eta vs tors. theta energy: -191.955 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: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2303.276292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.276292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.276292 (E_RNA) where: Base-Base interactions energy: -1628.953 where: short stacking energy: -664.735 Base-Backbone interact. energy: -2.062 local terms energy: -672.260615 where: bonds (distance) C4'-P energy: -108.599 bonds (distance) P-C4' energy: -121.358 flat angles C4'-P-C4' energy: -145.306 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -200.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1988.946992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.946992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.946992 (E_RNA) where: Base-Base interactions energy: -1387.054 where: short stacking energy: -596.835 Base-Backbone interact. energy: -0.018 local terms energy: -601.874354 where: bonds (distance) C4'-P energy: -110.709 bonds (distance) P-C4' energy: -120.671 flat angles C4'-P-C4' energy: -127.237 flat angles P-C4'-P energy: -71.695 tors. eta vs tors. theta energy: -171.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1836.289434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.289434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.289434 (E_RNA) where: Base-Base interactions energy: -1234.471 where: short stacking energy: -555.916 Base-Backbone interact. energy: -0.891 local terms energy: -600.927955 where: bonds (distance) C4'-P energy: -114.415 bonds (distance) P-C4' energy: -131.270 flat angles C4'-P-C4' energy: -133.185 flat angles P-C4'-P energy: -58.875 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: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1590.321952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.321952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.321952 (E_RNA) where: Base-Base interactions energy: -1089.007 where: short stacking energy: -437.159 Base-Backbone interact. energy: -3.423 local terms energy: -497.892141 where: bonds (distance) C4'-P energy: -95.207 bonds (distance) P-C4' energy: -124.810 flat angles C4'-P-C4' energy: -96.067 flat angles P-C4'-P energy: -82.620 tors. eta vs tors. theta energy: -99.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1537.344634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.344634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.344634 (E_RNA) where: Base-Base interactions energy: -1030.702 where: short stacking energy: -435.947 Base-Backbone interact. energy: -1.921 local terms energy: -504.721055 where: bonds (distance) C4'-P energy: -98.536 bonds (distance) P-C4' energy: -117.977 flat angles C4'-P-C4' energy: -118.095 flat angles P-C4'-P energy: -64.775 tors. eta vs tors. theta energy: -105.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1065.145376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.145376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.145376 (E_RNA) where: Base-Base interactions energy: -624.074 where: short stacking energy: -270.839 Base-Backbone interact. energy: -2.044 local terms energy: -439.026807 where: bonds (distance) C4'-P energy: -91.893 bonds (distance) P-C4' energy: -127.655 flat angles C4'-P-C4' energy: -110.371 flat angles P-C4'-P energy: -66.108 tors. eta vs tors. theta energy: -43.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2608.992730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.992730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.992730 (E_RNA) where: Base-Base interactions energy: -1878.566 where: short stacking energy: -751.025 Base-Backbone interact. energy: -1.005 local terms energy: -729.422010 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -137.316 flat angles C4'-P-C4' energy: -156.364 flat angles P-C4'-P energy: -102.867 tors. eta vs tors. theta energy: -225.643 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: 2, replica: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2485.536478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.536478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.536478 (E_RNA) where: Base-Base interactions energy: -1756.185 where: short stacking energy: -712.065 Base-Backbone interact. energy: -1.506 local terms energy: -727.845797 where: bonds (distance) C4'-P energy: -137.887 bonds (distance) P-C4' energy: -119.938 flat angles C4'-P-C4' energy: -147.147 flat angles P-C4'-P energy: -120.127 tors. eta vs tors. theta energy: -202.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2424.466730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.466730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.466730 (E_RNA) where: Base-Base interactions energy: -1703.797 where: short stacking energy: -708.059 Base-Backbone interact. energy: -2.545 local terms energy: -718.124767 where: bonds (distance) C4'-P energy: -128.447 bonds (distance) P-C4' energy: -129.416 flat angles C4'-P-C4' energy: -139.902 flat angles P-C4'-P energy: -107.921 tors. eta vs tors. theta energy: -212.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2292.546368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.546368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.546368 (E_RNA) where: Base-Base interactions energy: -1628.392 where: short stacking energy: -688.954 Base-Backbone interact. energy: -2.010 local terms energy: -662.144821 where: bonds (distance) C4'-P energy: -107.211 bonds (distance) P-C4' energy: -116.587 flat angles C4'-P-C4' energy: -153.419 flat angles P-C4'-P energy: -88.251 tors. eta vs tors. theta energy: -196.678 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: 5, replica: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2355.207640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.207640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.207640 (E_RNA) where: Base-Base interactions energy: -1669.273 where: short stacking energy: -702.481 Base-Backbone interact. energy: -0.412 local terms energy: -685.522657 where: bonds (distance) C4'-P energy: -120.413 bonds (distance) P-C4' energy: -118.448 flat angles C4'-P-C4' energy: -127.785 flat angles P-C4'-P energy: -103.853 tors. eta vs tors. theta energy: -215.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1952.588850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.588850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.588850 (E_RNA) where: Base-Base interactions energy: -1332.826 where: short stacking energy: -563.301 Base-Backbone interact. energy: 0.650 local terms energy: -620.412716 where: bonds (distance) C4'-P energy: -109.029 bonds (distance) P-C4' energy: -122.879 flat angles C4'-P-C4' energy: -146.725 flat angles P-C4'-P energy: -87.276 tors. eta vs tors. theta energy: -154.504 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: 92 Temperature: 1.200000 Total energy: -1863.003603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.003603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.003603 (E_RNA) where: Base-Base interactions energy: -1276.965 where: short stacking energy: -531.886 Base-Backbone interact. energy: -1.836 local terms energy: -584.202805 where: bonds (distance) C4'-P energy: -116.762 bonds (distance) P-C4' energy: -113.107 flat angles C4'-P-C4' energy: -126.362 flat angles P-C4'-P energy: -71.118 tors. eta vs tors. theta energy: -156.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1626.738182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.738182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.738182 (E_RNA) where: Base-Base interactions energy: -1129.205 where: short stacking energy: -462.683 Base-Backbone interact. energy: 0.139 local terms energy: -497.673003 where: bonds (distance) C4'-P energy: -89.847 bonds (distance) P-C4' energy: -110.124 flat angles C4'-P-C4' energy: -110.545 flat angles P-C4'-P energy: -90.421 tors. eta vs tors. theta energy: -96.736 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: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1566.895699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.895699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.895699 (E_RNA) where: Base-Base interactions energy: -1064.738 where: short stacking energy: -471.085 Base-Backbone interact. energy: -1.354 local terms energy: -500.803102 where: bonds (distance) C4'-P energy: -96.639 bonds (distance) P-C4' energy: -112.144 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -68.495 tors. eta vs tors. theta energy: -101.805 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: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1000.668888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.668888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.668888 (E_RNA) where: Base-Base interactions energy: -622.398 where: short stacking energy: -288.972 Base-Backbone interact. energy: 7.778 local terms energy: -386.049170 where: bonds (distance) C4'-P energy: -94.037 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -94.061 flat angles P-C4'-P energy: -67.928 tors. eta vs tors. theta energy: -31.798 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: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2630.847394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.847394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.847394 (E_RNA) where: Base-Base interactions energy: -1886.726 where: short stacking energy: -760.832 Base-Backbone interact. energy: -2.001 local terms energy: -742.120670 where: bonds (distance) C4'-P energy: -131.279 bonds (distance) P-C4' energy: -135.934 flat angles C4'-P-C4' energy: -149.964 flat angles P-C4'-P energy: -101.138 tors. eta vs tors. theta energy: -223.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2476.108383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.108383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.108383 (E_RNA) where: Base-Base interactions energy: -1745.539 where: short stacking energy: -713.608 Base-Backbone interact. energy: -2.164 local terms energy: -728.405753 where: bonds (distance) C4'-P energy: -139.103 bonds (distance) P-C4' energy: -130.216 flat angles C4'-P-C4' energy: -144.963 flat angles P-C4'-P energy: -112.414 tors. eta vs tors. theta energy: -201.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2389.490178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.490178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.490178 (E_RNA) where: Base-Base interactions energy: -1691.422 where: short stacking energy: -697.924 Base-Backbone interact. energy: -1.033 local terms energy: -697.035160 where: bonds (distance) C4'-P energy: -130.856 bonds (distance) P-C4' energy: -120.744 flat angles C4'-P-C4' energy: -145.149 flat angles P-C4'-P energy: -99.533 tors. eta vs tors. theta energy: -200.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2412.853764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.853764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.853764 (E_RNA) where: Base-Base interactions energy: -1717.209 where: short stacking energy: -684.032 Base-Backbone interact. energy: 0.033 local terms energy: -695.677764 where: bonds (distance) C4'-P energy: -128.360 bonds (distance) P-C4' energy: -119.736 flat angles C4'-P-C4' energy: -138.089 flat angles P-C4'-P energy: -88.345 tors. eta vs tors. theta energy: -221.148 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: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2233.552445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.552445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.552445 (E_RNA) where: Base-Base interactions energy: -1553.359 where: short stacking energy: -628.382 Base-Backbone interact. energy: -0.918 local terms energy: -679.275066 where: bonds (distance) C4'-P energy: -125.666 bonds (distance) P-C4' energy: -120.125 flat angles C4'-P-C4' energy: -140.824 flat angles P-C4'-P energy: -107.421 tors. eta vs tors. theta energy: -185.239 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: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1915.838141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.838141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.838141 (E_RNA) where: Base-Base interactions energy: -1316.077 where: short stacking energy: -564.595 Base-Backbone interact. energy: 4.002 local terms energy: -603.763243 where: bonds (distance) C4'-P energy: -111.577 bonds (distance) P-C4' energy: -115.869 flat angles C4'-P-C4' energy: -126.482 flat angles P-C4'-P energy: -85.380 tors. eta vs tors. theta energy: -164.456 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: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1874.214998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.214998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.214998 (E_RNA) where: Base-Base interactions energy: -1273.119 where: short stacking energy: -535.629 Base-Backbone interact. energy: -3.840 local terms energy: -597.255889 where: bonds (distance) C4'-P energy: -107.065 bonds (distance) P-C4' energy: -127.851 flat angles C4'-P-C4' energy: -134.323 flat angles P-C4'-P energy: -80.717 tors. eta vs tors. theta energy: -147.301 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: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1668.091215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.091215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.091215 (E_RNA) where: Base-Base interactions energy: -1161.950 where: short stacking energy: -468.432 Base-Backbone interact. energy: 7.064 local terms energy: -513.204985 where: bonds (distance) C4'-P energy: -93.780 bonds (distance) P-C4' energy: -110.998 flat angles C4'-P-C4' energy: -118.527 flat angles P-C4'-P energy: -78.581 tors. eta vs tors. theta energy: -111.319 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: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1555.316152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.316152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.316152 (E_RNA) where: Base-Base interactions energy: -1051.088 where: short stacking energy: -451.930 Base-Backbone interact. energy: 0.821 local terms energy: -505.049145 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -125.413 flat angles C4'-P-C4' energy: -124.747 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: -104.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1066.533882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.533882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.533882 (E_RNA) where: Base-Base interactions energy: -657.491 where: short stacking energy: -294.607 Base-Backbone interact. energy: 4.019 local terms energy: -413.062502 where: bonds (distance) C4'-P energy: -107.896 bonds (distance) P-C4' energy: -101.167 flat angles C4'-P-C4' energy: -91.881 flat angles P-C4'-P energy: -80.064 tors. eta vs tors. theta energy: -32.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2627.909768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.909768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.909768 (E_RNA) where: Base-Base interactions energy: -1866.032 where: short stacking energy: -752.929 Base-Backbone interact. energy: 4.404 local terms energy: -766.282283 where: bonds (distance) C4'-P energy: -128.271 bonds (distance) P-C4' energy: -140.238 flat angles C4'-P-C4' energy: -153.447 flat angles P-C4'-P energy: -112.062 tors. eta vs tors. theta energy: -232.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2491.130359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.130359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.130359 (E_RNA) where: Base-Base interactions energy: -1751.369 where: short stacking energy: -702.246 Base-Backbone interact. energy: -1.512 local terms energy: -738.249857 where: bonds (distance) C4'-P energy: -136.084 bonds (distance) P-C4' energy: -134.940 flat angles C4'-P-C4' energy: -154.107 flat angles P-C4'-P energy: -107.512 tors. eta vs tors. theta energy: -205.606 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: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2499.642017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.642017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.642017 (E_RNA) where: Base-Base interactions energy: -1781.906 where: short stacking energy: -712.190 Base-Backbone interact. energy: -1.532 local terms energy: -716.203926 where: bonds (distance) C4'-P energy: -121.061 bonds (distance) P-C4' energy: -115.038 flat angles C4'-P-C4' energy: -148.828 flat angles P-C4'-P energy: -106.228 tors. eta vs tors. theta energy: -225.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2356.028002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.028002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.028002 (E_RNA) where: Base-Base interactions energy: -1678.510 where: short stacking energy: -706.063 Base-Backbone interact. energy: -3.491 local terms energy: -674.027570 where: bonds (distance) C4'-P energy: -118.698 bonds (distance) P-C4' energy: -115.721 flat angles C4'-P-C4' energy: -132.159 flat angles P-C4'-P energy: -101.917 tors. eta vs tors. theta energy: -205.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2203.627244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.627244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.627244 (E_RNA) where: Base-Base interactions energy: -1578.786 where: short stacking energy: -656.051 Base-Backbone interact. energy: 2.563 local terms energy: -627.403859 where: bonds (distance) C4'-P energy: -120.833 bonds (distance) P-C4' energy: -112.084 flat angles C4'-P-C4' energy: -130.362 flat angles P-C4'-P energy: -82.040 tors. eta vs tors. theta energy: -182.086 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: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2009.339497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.339497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.339497 (E_RNA) where: Base-Base interactions energy: -1377.754 where: short stacking energy: -607.489 Base-Backbone interact. energy: 4.284 local terms energy: -635.869697 where: bonds (distance) C4'-P energy: -109.379 bonds (distance) P-C4' energy: -114.252 flat angles C4'-P-C4' energy: -139.682 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -177.948 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: 94 Temperature: 1.200000 Total energy: -1838.992296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.992296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.992296 (E_RNA) where: Base-Base interactions energy: -1282.349 where: short stacking energy: -544.033 Base-Backbone interact. energy: 2.261 local terms energy: -558.905108 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -104.468 flat angles C4'-P-C4' energy: -130.136 flat angles P-C4'-P energy: -71.048 tors. eta vs tors. theta energy: -154.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1707.230172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.230172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.230172 (E_RNA) where: Base-Base interactions energy: -1194.921 where: short stacking energy: -475.193 Base-Backbone interact. energy: -1.492 local terms energy: -510.817241 where: bonds (distance) C4'-P energy: -93.914 bonds (distance) P-C4' energy: -116.856 flat angles C4'-P-C4' energy: -101.046 flat angles P-C4'-P energy: -76.351 tors. eta vs tors. theta energy: -122.651 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: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1540.807884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.807884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.807884 (E_RNA) where: Base-Base interactions energy: -1048.514 where: short stacking energy: -442.338 Base-Backbone interact. energy: 0.597 local terms energy: -492.891052 where: bonds (distance) C4'-P energy: -106.704 bonds (distance) P-C4' energy: -112.905 flat angles C4'-P-C4' energy: -118.821 flat angles P-C4'-P energy: -56.555 tors. eta vs tors. theta energy: -97.906 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: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1047.471976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.471976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.471976 (E_RNA) where: Base-Base interactions energy: -649.425 where: short stacking energy: -303.110 Base-Backbone interact. energy: 2.594 local terms energy: -400.641224 where: bonds (distance) C4'-P energy: -107.707 bonds (distance) P-C4' energy: -107.250 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -67.799 tors. eta vs tors. theta energy: -32.214 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: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2663.617045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.617045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.617045 (E_RNA) where: Base-Base interactions energy: -1896.575 where: short stacking energy: -779.848 Base-Backbone interact. energy: -1.991 local terms energy: -765.051366 where: bonds (distance) C4'-P energy: -134.556 bonds (distance) P-C4' energy: -130.550 flat angles C4'-P-C4' energy: -156.737 flat angles P-C4'-P energy: -108.457 tors. eta vs tors. theta energy: -234.752 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: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2588.380328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.380328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.380328 (E_RNA) where: Base-Base interactions energy: -1835.069 where: short stacking energy: -749.242 Base-Backbone interact. energy: -1.075 local terms energy: -752.236707 where: bonds (distance) C4'-P energy: -129.240 bonds (distance) P-C4' energy: -134.680 flat angles C4'-P-C4' energy: -156.760 flat angles P-C4'-P energy: -104.324 tors. eta vs tors. theta energy: -227.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2436.979391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.979391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.979391 (E_RNA) where: Base-Base interactions energy: -1710.746 where: short stacking energy: -710.371 Base-Backbone interact. energy: -2.593 local terms energy: -723.639627 where: bonds (distance) C4'-P energy: -132.349 bonds (distance) P-C4' energy: -119.283 flat angles C4'-P-C4' energy: -154.986 flat angles P-C4'-P energy: -102.819 tors. eta vs tors. theta energy: -214.202 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: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2398.317390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.317390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.317390 (E_RNA) where: Base-Base interactions energy: -1714.353 where: short stacking energy: -694.198 Base-Backbone interact. energy: -2.182 local terms energy: -681.782209 where: bonds (distance) C4'-P energy: -119.466 bonds (distance) P-C4' energy: -126.223 flat angles C4'-P-C4' energy: -146.578 flat angles P-C4'-P energy: -85.969 tors. eta vs tors. theta energy: -203.546 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: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2248.526435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.526435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.526435 (E_RNA) where: Base-Base interactions energy: -1602.954 where: short stacking energy: -649.472 Base-Backbone interact. energy: -1.662 local terms energy: -643.909817 where: bonds (distance) C4'-P energy: -103.593 bonds (distance) P-C4' energy: -137.900 flat angles C4'-P-C4' energy: -137.113 flat angles P-C4'-P energy: -81.697 tors. eta vs tors. theta energy: -183.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1978.373934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.373934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.373934 (E_RNA) where: Base-Base interactions energy: -1348.549 where: short stacking energy: -590.390 Base-Backbone interact. energy: -3.466 local terms energy: -626.358566 where: bonds (distance) C4'-P energy: -114.287 bonds (distance) P-C4' energy: -122.143 flat angles C4'-P-C4' energy: -134.799 flat angles P-C4'-P energy: -82.510 tors. eta vs tors. theta energy: -172.619 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: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1822.570843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.570843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.570843 (E_RNA) where: Base-Base interactions energy: -1259.388 where: short stacking energy: -541.299 Base-Backbone interact. energy: -1.107 local terms energy: -562.076024 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -122.457 flat angles C4'-P-C4' energy: -132.345 flat angles P-C4'-P energy: -67.863 tors. eta vs tors. theta energy: -142.261 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: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1721.821886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.821886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.821886 (E_RNA) where: Base-Base interactions energy: -1153.949 where: short stacking energy: -474.853 Base-Backbone interact. energy: -0.277 local terms energy: -567.595624 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -123.668 flat angles C4'-P-C4' energy: -128.166 flat angles P-C4'-P energy: -83.606 tors. eta vs tors. theta energy: -115.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1549.835050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.835050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.835050 (E_RNA) where: Base-Base interactions energy: -1015.987 where: short stacking energy: -431.398 Base-Backbone interact. energy: 1.638 local terms energy: -535.485158 where: bonds (distance) C4'-P energy: -125.636 bonds (distance) P-C4' energy: -106.445 flat angles C4'-P-C4' energy: -124.988 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -107.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1130.559862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.559862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.559862 (E_RNA) where: Base-Base interactions energy: -713.103 where: short stacking energy: -290.753 Base-Backbone interact. energy: 4.386 local terms energy: -421.843211 where: bonds (distance) C4'-P energy: -98.780 bonds (distance) P-C4' energy: -106.427 flat angles C4'-P-C4' energy: -107.848 flat angles P-C4'-P energy: -69.317 tors. eta vs tors. theta energy: -39.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2638.452053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.452053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.452053 (E_RNA) where: Base-Base interactions energy: -1860.265 where: short stacking energy: -744.118 Base-Backbone interact. energy: -1.903 local terms energy: -776.283905 where: bonds (distance) C4'-P energy: -136.210 bonds (distance) P-C4' energy: -146.909 flat angles C4'-P-C4' energy: -143.305 flat angles P-C4'-P energy: -114.798 tors. eta vs tors. theta energy: -235.061 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: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2618.533076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.533076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.533076 (E_RNA) where: Base-Base interactions energy: -1884.950 where: short stacking energy: -757.330 Base-Backbone interact. energy: -2.038 local terms energy: -731.545472 where: bonds (distance) C4'-P energy: -129.703 bonds (distance) P-C4' energy: -119.481 flat angles C4'-P-C4' energy: -149.550 flat angles P-C4'-P energy: -105.466 tors. eta vs tors. theta energy: -227.344 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: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2430.883636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.883636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.883636 (E_RNA) where: Base-Base interactions energy: -1738.570 where: short stacking energy: -712.089 Base-Backbone interact. energy: 0.108 local terms energy: -692.421278 where: bonds (distance) C4'-P energy: -108.885 bonds (distance) P-C4' energy: -138.669 flat angles C4'-P-C4' energy: -141.152 flat angles P-C4'-P energy: -98.423 tors. eta vs tors. theta energy: -205.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2324.907243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.907243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.907243 (E_RNA) where: Base-Base interactions energy: -1643.236 where: short stacking energy: -673.413 Base-Backbone interact. energy: -2.544 local terms energy: -679.127588 where: bonds (distance) C4'-P energy: -104.737 bonds (distance) P-C4' energy: -128.811 flat angles C4'-P-C4' energy: -138.210 flat angles P-C4'-P energy: -101.515 tors. eta vs tors. theta energy: -205.854 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: 96 Temperature: 1.100000 Total energy: -2244.570028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.570028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.570028 (E_RNA) where: Base-Base interactions energy: -1586.532 where: short stacking energy: -649.993 Base-Backbone interact. energy: -4.441 local terms energy: -653.597212 where: bonds (distance) C4'-P energy: -116.122 bonds (distance) P-C4' energy: -116.631 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -93.451 tors. eta vs tors. theta energy: -181.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1973.120534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.120534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.120534 (E_RNA) where: Base-Base interactions energy: -1353.535 where: short stacking energy: -573.894 Base-Backbone interact. energy: 7.277 local terms energy: -626.862702 where: bonds (distance) C4'-P energy: -115.908 bonds (distance) P-C4' energy: -121.187 flat angles C4'-P-C4' energy: -136.240 flat angles P-C4'-P energy: -87.416 tors. eta vs tors. theta energy: -166.112 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: 96 Temperature: 1.200000 Total energy: -1772.086986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.086986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.086986 (E_RNA) where: Base-Base interactions energy: -1218.152 where: short stacking energy: -516.082 Base-Backbone interact. energy: -1.840 local terms energy: -552.094249 where: bonds (distance) C4'-P energy: -85.180 bonds (distance) P-C4' energy: -126.483 flat angles C4'-P-C4' energy: -123.636 flat angles P-C4'-P energy: -81.273 tors. eta vs tors. theta energy: -135.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1695.470644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.470644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.470644 (E_RNA) where: Base-Base interactions energy: -1160.576 where: short stacking energy: -494.748 Base-Backbone interact. energy: -4.076 local terms energy: -530.819217 where: bonds (distance) C4'-P energy: -104.127 bonds (distance) P-C4' energy: -117.359 flat angles C4'-P-C4' energy: -122.709 flat angles P-C4'-P energy: -72.582 tors. eta vs tors. theta energy: -114.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1490.932442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.932442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.932442 (E_RNA) where: Base-Base interactions energy: -1016.584 where: short stacking energy: -425.828 Base-Backbone interact. energy: 2.146 local terms energy: -476.494195 where: bonds (distance) C4'-P energy: -87.552 bonds (distance) P-C4' energy: -101.047 flat angles C4'-P-C4' energy: -119.520 flat angles P-C4'-P energy: -64.653 tors. eta vs tors. theta energy: -103.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1148.573434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.573434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.573434 (E_RNA) where: Base-Base interactions energy: -742.165 where: short stacking energy: -344.373 Base-Backbone interact. energy: -0.185 local terms energy: -406.223043 where: bonds (distance) C4'-P energy: -84.734 bonds (distance) P-C4' energy: -98.729 flat angles C4'-P-C4' energy: -112.785 flat angles P-C4'-P energy: -66.532 tors. eta vs tors. theta energy: -43.444 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: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2624.558702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.558702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.558702 (E_RNA) where: Base-Base interactions energy: -1860.090 where: short stacking energy: -738.046 Base-Backbone interact. energy: -1.707 local terms energy: -762.761890 where: bonds (distance) C4'-P energy: -136.312 bonds (distance) P-C4' energy: -139.333 flat angles C4'-P-C4' energy: -147.211 flat angles P-C4'-P energy: -108.794 tors. eta vs tors. theta energy: -231.112 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: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2582.047588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.047588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.047588 (E_RNA) where: Base-Base interactions energy: -1819.116 where: short stacking energy: -738.437 Base-Backbone interact. energy: -1.924 local terms energy: -761.006883 where: bonds (distance) C4'-P energy: -128.833 bonds (distance) P-C4' energy: -141.454 flat angles C4'-P-C4' energy: -152.673 flat angles P-C4'-P energy: -106.444 tors. eta vs tors. theta energy: -231.603 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: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2424.875720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.875720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.875720 (E_RNA) where: Base-Base interactions energy: -1730.732 where: short stacking energy: -684.481 Base-Backbone interact. energy: -1.351 local terms energy: -692.792902 where: bonds (distance) C4'-P energy: -117.243 bonds (distance) P-C4' energy: -115.233 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -91.919 tors. eta vs tors. theta energy: -212.235 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: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2311.012652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.012652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.012652 (E_RNA) where: Base-Base interactions energy: -1624.772 where: short stacking energy: -663.901 Base-Backbone interact. energy: -2.180 local terms energy: -684.060989 where: bonds (distance) C4'-P energy: -122.991 bonds (distance) P-C4' energy: -123.230 flat angles C4'-P-C4' energy: -151.233 flat angles P-C4'-P energy: -89.590 tors. eta vs tors. theta energy: -197.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2187.226070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.226070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.226070 (E_RNA) where: Base-Base interactions energy: -1526.656 where: short stacking energy: -640.159 Base-Backbone interact. energy: -0.993 local terms energy: -659.576167 where: bonds (distance) C4'-P energy: -117.611 bonds (distance) P-C4' energy: -124.794 flat angles C4'-P-C4' energy: -137.457 flat angles P-C4'-P energy: -90.783 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: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1958.306681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.306681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.306681 (E_RNA) where: Base-Base interactions energy: -1374.608 where: short stacking energy: -587.617 Base-Backbone interact. energy: -4.262 local terms energy: -579.437280 where: bonds (distance) C4'-P energy: -103.574 bonds (distance) P-C4' energy: -96.524 flat angles C4'-P-C4' energy: -136.119 flat angles P-C4'-P energy: -88.486 tors. eta vs tors. theta energy: -154.735 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: 97 Temperature: 1.200000 Total energy: -1787.812699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.812699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.812699 (E_RNA) where: Base-Base interactions energy: -1200.535 where: short stacking energy: -512.183 Base-Backbone interact. energy: 1.619 local terms energy: -588.897116 where: bonds (distance) C4'-P energy: -107.064 bonds (distance) P-C4' energy: -142.715 flat angles C4'-P-C4' energy: -125.730 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -134.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1726.645039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.645039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.645039 (E_RNA) where: Base-Base interactions energy: -1222.942 where: short stacking energy: -506.172 Base-Backbone interact. energy: 0.339 local terms energy: -504.042066 where: bonds (distance) C4'-P energy: -108.451 bonds (distance) P-C4' energy: -107.466 flat angles C4'-P-C4' energy: -122.801 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -101.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1565.121997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.121997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.121997 (E_RNA) where: Base-Base interactions energy: -1058.690 where: short stacking energy: -445.881 Base-Backbone interact. energy: -1.522 local terms energy: -504.910074 where: bonds (distance) C4'-P energy: -100.173 bonds (distance) P-C4' energy: -119.891 flat angles C4'-P-C4' energy: -104.116 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -105.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1015.408840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.408840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.408840 (E_RNA) where: Base-Base interactions energy: -578.549 where: short stacking energy: -284.830 Base-Backbone interact. energy: -1.002 local terms energy: -435.858467 where: bonds (distance) C4'-P energy: -122.411 bonds (distance) P-C4' energy: -99.687 flat angles C4'-P-C4' energy: -100.710 flat angles P-C4'-P energy: -75.330 tors. eta vs tors. theta energy: -37.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2615.807746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.807746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.807746 (E_RNA) where: Base-Base interactions energy: -1864.585 where: short stacking energy: -748.644 Base-Backbone interact. energy: -2.381 local terms energy: -748.840930 where: bonds (distance) C4'-P energy: -138.198 bonds (distance) P-C4' energy: -125.989 flat angles C4'-P-C4' energy: -156.015 flat angles P-C4'-P energy: -102.641 tors. eta vs tors. theta energy: -225.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2576.221623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.221623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.221623 (E_RNA) where: Base-Base interactions energy: -1802.782 where: short stacking energy: -726.424 Base-Backbone interact. energy: -1.229 local terms energy: -772.210556 where: bonds (distance) C4'-P energy: -140.055 bonds (distance) P-C4' energy: -134.804 flat angles C4'-P-C4' energy: -154.946 flat angles P-C4'-P energy: -110.726 tors. eta vs tors. theta energy: -231.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2428.531933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.531933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.531933 (E_RNA) where: Base-Base interactions energy: -1715.440 where: short stacking energy: -708.252 Base-Backbone interact. energy: 0.105 local terms energy: -713.196812 where: bonds (distance) C4'-P energy: -126.983 bonds (distance) P-C4' energy: -132.288 flat angles C4'-P-C4' energy: -155.884 flat angles P-C4'-P energy: -91.518 tors. eta vs tors. theta energy: -206.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2303.105170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.105170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.105170 (E_RNA) where: Base-Base interactions energy: -1632.159 where: short stacking energy: -648.484 Base-Backbone interact. energy: -1.335 local terms energy: -669.611279 where: bonds (distance) C4'-P energy: -119.252 bonds (distance) P-C4' energy: -119.495 flat angles C4'-P-C4' energy: -148.571 flat angles P-C4'-P energy: -93.123 tors. eta vs tors. theta energy: -189.170 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: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2210.755079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.755079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.755079 (E_RNA) where: Base-Base interactions energy: -1537.869 where: short stacking energy: -650.299 Base-Backbone interact. energy: -2.419 local terms energy: -670.467433 where: bonds (distance) C4'-P energy: -117.584 bonds (distance) P-C4' energy: -122.779 flat angles C4'-P-C4' energy: -143.160 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -194.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1975.574761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.574761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.574761 (E_RNA) where: Base-Base interactions energy: -1377.512 where: short stacking energy: -587.821 Base-Backbone interact. energy: -0.871 local terms energy: -597.191604 where: bonds (distance) C4'-P energy: -112.239 bonds (distance) P-C4' energy: -120.548 flat angles C4'-P-C4' energy: -123.178 flat angles P-C4'-P energy: -82.342 tors. eta vs tors. theta energy: -158.885 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: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1821.918303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.918303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.918303 (E_RNA) where: Base-Base interactions energy: -1235.301 where: short stacking energy: -512.368 Base-Backbone interact. energy: 3.099 local terms energy: -589.716124 where: bonds (distance) C4'-P energy: -122.802 bonds (distance) P-C4' energy: -121.164 flat angles C4'-P-C4' energy: -132.476 flat angles P-C4'-P energy: -78.803 tors. eta vs tors. theta energy: -134.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1667.637791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.637791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.637791 (E_RNA) where: Base-Base interactions energy: -1115.756 where: short stacking energy: -475.191 Base-Backbone interact. energy: 0.128 local terms energy: -552.009598 where: bonds (distance) C4'-P energy: -106.146 bonds (distance) P-C4' energy: -106.075 flat angles C4'-P-C4' energy: -125.998 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -137.244 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: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1535.986058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.986058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.986058 (E_RNA) where: Base-Base interactions energy: -1030.253 where: short stacking energy: -453.999 Base-Backbone interact. energy: -0.639 local terms energy: -505.094127 where: bonds (distance) C4'-P energy: -79.084 bonds (distance) P-C4' energy: -115.508 flat angles C4'-P-C4' energy: -128.909 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -112.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -976.860031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.860031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.860031 (E_RNA) where: Base-Base interactions energy: -587.774 where: short stacking energy: -291.226 Base-Backbone interact. energy: -4.003 local terms energy: -385.082667 where: bonds (distance) C4'-P energy: -90.695 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -51.200 tors. eta vs tors. theta energy: -25.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2648.075668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.075668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.075668 (E_RNA) where: Base-Base interactions energy: -1900.880 where: short stacking energy: -766.272 Base-Backbone interact. energy: 2.546 local terms energy: -749.742109 where: bonds (distance) C4'-P energy: -142.424 bonds (distance) P-C4' energy: -122.946 flat angles C4'-P-C4' energy: -150.833 flat angles P-C4'-P energy: -101.697 tors. eta vs tors. theta energy: -231.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2566.283240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.283240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.283240 (E_RNA) where: Base-Base interactions energy: -1813.396 where: short stacking energy: -734.413 Base-Backbone interact. energy: -2.116 local terms energy: -750.770911 where: bonds (distance) C4'-P energy: -123.730 bonds (distance) P-C4' energy: -135.760 flat angles C4'-P-C4' energy: -155.391 flat angles P-C4'-P energy: -105.237 tors. eta vs tors. theta energy: -230.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2445.624293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.624293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.624293 (E_RNA) where: Base-Base interactions energy: -1763.713 where: short stacking energy: -717.230 Base-Backbone interact. energy: 2.778 local terms energy: -684.689355 where: bonds (distance) C4'-P energy: -106.827 bonds (distance) P-C4' energy: -113.464 flat angles C4'-P-C4' energy: -144.794 flat angles P-C4'-P energy: -107.934 tors. eta vs tors. theta energy: -211.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2328.766173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.766173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.766173 (E_RNA) where: Base-Base interactions energy: -1631.299 where: short stacking energy: -672.355 Base-Backbone interact. energy: 1.598 local terms energy: -699.064355 where: bonds (distance) C4'-P energy: -130.386 bonds (distance) P-C4' energy: -137.959 flat angles C4'-P-C4' energy: -128.937 flat angles P-C4'-P energy: -96.167 tors. eta vs tors. theta energy: -205.615 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: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2204.639125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.639125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.639125 (E_RNA) where: Base-Base interactions energy: -1514.827 where: short stacking energy: -648.534 Base-Backbone interact. energy: -2.422 local terms energy: -687.389967 where: bonds (distance) C4'-P energy: -136.150 bonds (distance) P-C4' energy: -109.861 flat angles C4'-P-C4' energy: -143.583 flat angles P-C4'-P energy: -100.422 tors. eta vs tors. theta energy: -197.374 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: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1906.503255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.503255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.503255 (E_RNA) where: Base-Base interactions energy: -1304.797 where: short stacking energy: -567.759 Base-Backbone interact. energy: -2.344 local terms energy: -599.362314 where: bonds (distance) C4'-P energy: -117.129 bonds (distance) P-C4' energy: -106.167 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -81.977 tors. eta vs tors. theta energy: -157.595 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: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1865.434201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.434201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.434201 (E_RNA) where: Base-Base interactions energy: -1275.679 where: short stacking energy: -563.381 Base-Backbone interact. energy: 2.056 local terms energy: -591.811256 where: bonds (distance) C4'-P energy: -114.319 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -135.596 flat angles P-C4'-P energy: -84.851 tors. eta vs tors. theta energy: -148.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1718.841748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.841748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.841748 (E_RNA) where: Base-Base interactions energy: -1169.786 where: short stacking energy: -481.381 Base-Backbone interact. energy: -3.312 local terms energy: -545.743556 where: bonds (distance) C4'-P energy: -94.363 bonds (distance) P-C4' energy: -121.308 flat angles C4'-P-C4' energy: -127.445 flat angles P-C4'-P energy: -77.072 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: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1508.917997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.917997 (E_RNA) where: Base-Base interactions energy: -1048.744 where: short stacking energy: -466.219 Base-Backbone interact. energy: -0.762 local terms energy: -459.412681 where: bonds (distance) C4'-P energy: -86.477 bonds (distance) P-C4' energy: -112.770 flat angles C4'-P-C4' energy: -99.657 flat angles P-C4'-P energy: -69.056 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -953.180730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.180730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.180730 (E_RNA) where: Base-Base interactions energy: -580.068 where: short stacking energy: -276.362 Base-Backbone interact. energy: 1.383 local terms energy: -374.495578 where: bonds (distance) C4'-P energy: -94.983 bonds (distance) P-C4' energy: -109.017 flat angles C4'-P-C4' energy: -99.664 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: -27.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2646.505872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.505872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.505872 (E_RNA) where: Base-Base interactions energy: -1871.811 where: short stacking energy: -758.821 Base-Backbone interact. energy: -0.547 local terms energy: -774.147682 where: bonds (distance) C4'-P energy: -123.763 bonds (distance) P-C4' energy: -141.411 flat angles C4'-P-C4' energy: -163.220 flat angles P-C4'-P energy: -103.958 tors. eta vs tors. theta energy: -241.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2575.604507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.604507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.604507 (E_RNA) where: Base-Base interactions energy: -1840.244 where: short stacking energy: -721.295 Base-Backbone interact. energy: 0.191 local terms energy: -735.550640 where: bonds (distance) C4'-P energy: -129.773 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -149.557 flat angles P-C4'-P energy: -101.374 tors. eta vs tors. theta energy: -223.443 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: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2470.922380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.922380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.922380 (E_RNA) where: Base-Base interactions energy: -1757.083 where: short stacking energy: -726.048 Base-Backbone interact. energy: -0.358 local terms energy: -713.481403 where: bonds (distance) C4'-P energy: -120.359 bonds (distance) P-C4' energy: -126.107 flat angles C4'-P-C4' energy: -150.888 flat angles P-C4'-P energy: -102.149 tors. eta vs tors. theta energy: -213.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2349.626605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.626605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.626605 (E_RNA) where: Base-Base interactions energy: -1668.598 where: short stacking energy: -680.685 Base-Backbone interact. energy: -2.467 local terms energy: -678.561203 where: bonds (distance) C4'-P energy: -109.656 bonds (distance) P-C4' energy: -125.486 flat angles C4'-P-C4' energy: -138.687 flat angles P-C4'-P energy: -92.369 tors. eta vs tors. theta energy: -212.363 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: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2122.045758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.045758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.045758 (E_RNA) where: Base-Base interactions energy: -1462.911 where: short stacking energy: -604.832 Base-Backbone interact. energy: 0.326 local terms energy: -659.461429 where: bonds (distance) C4'-P energy: -123.482 bonds (distance) P-C4' energy: -132.715 flat angles C4'-P-C4' energy: -144.460 flat angles P-C4'-P energy: -94.274 tors. eta vs tors. theta energy: -164.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1917.777437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.777437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.777437 (E_RNA) where: Base-Base interactions energy: -1296.866 where: short stacking energy: -561.251 Base-Backbone interact. energy: -2.263 local terms energy: -618.647859 where: bonds (distance) C4'-P energy: -120.112 bonds (distance) P-C4' energy: -109.152 flat angles C4'-P-C4' energy: -143.427 flat angles P-C4'-P energy: -93.052 tors. eta vs tors. theta energy: -152.905 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: 1 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1807.275681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.275681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.275681 (E_RNA) where: Base-Base interactions energy: -1227.286 where: short stacking energy: -534.121 Base-Backbone interact. energy: 0.155 local terms energy: -580.145376 where: bonds (distance) C4'-P energy: -120.530 bonds (distance) P-C4' energy: -121.394 flat angles C4'-P-C4' energy: -135.827 flat angles P-C4'-P energy: -67.829 tors. eta vs tors. theta energy: -134.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1692.468187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.468187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.468187 (E_RNA) where: Base-Base interactions energy: -1165.138 where: short stacking energy: -501.529 Base-Backbone interact. energy: -1.113 local terms energy: -526.217246 where: bonds (distance) C4'-P energy: -114.453 bonds (distance) P-C4' energy: -103.930 flat angles C4'-P-C4' energy: -109.567 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -122.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1579.824049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.824049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.824049 (E_RNA) where: Base-Base interactions energy: -1092.838 where: short stacking energy: -444.210 Base-Backbone interact. energy: 0.967 local terms energy: -487.953543 where: bonds (distance) C4'-P energy: -109.610 bonds (distance) P-C4' energy: -118.038 flat angles C4'-P-C4' energy: -94.676 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -98.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1000.273579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.273579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.273579 (E_RNA) where: Base-Base interactions energy: -589.715 where: short stacking energy: -284.989 Base-Backbone interact. energy: -2.296 local terms energy: -408.262807 where: bonds (distance) C4'-P energy: -93.526 bonds (distance) P-C4' energy: -111.665 flat angles C4'-P-C4' energy: -111.263 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -45.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2613.861167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.861167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.861167 (E_RNA) where: Base-Base interactions energy: -1847.815 where: short stacking energy: -735.387 Base-Backbone interact. energy: -0.750 local terms energy: -765.296462 where: bonds (distance) C4'-P energy: -131.971 bonds (distance) P-C4' energy: -134.279 flat angles C4'-P-C4' energy: -158.294 flat angles P-C4'-P energy: -109.273 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: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2574.098896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.098896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.098896 (E_RNA) where: Base-Base interactions energy: -1822.108 where: short stacking energy: -749.562 Base-Backbone interact. energy: -0.119 local terms energy: -751.872403 where: bonds (distance) C4'-P energy: -141.747 bonds (distance) P-C4' energy: -131.326 flat angles C4'-P-C4' energy: -153.545 flat angles P-C4'-P energy: -92.178 tors. eta vs tors. theta energy: -233.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2435.369748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.369748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.369748 (E_RNA) where: Base-Base interactions energy: -1723.333 where: short stacking energy: -706.630 Base-Backbone interact. energy: 3.760 local terms energy: -715.797022 where: bonds (distance) C4'-P energy: -133.455 bonds (distance) P-C4' energy: -110.012 flat angles C4'-P-C4' energy: -152.007 flat angles P-C4'-P energy: -115.903 tors. eta vs tors. theta energy: -204.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2369.314407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.314407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.314407 (E_RNA) where: Base-Base interactions energy: -1677.724 where: short stacking energy: -682.129 Base-Backbone interact. energy: -2.111 local terms energy: -689.479383 where: bonds (distance) C4'-P energy: -119.272 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -150.172 flat angles P-C4'-P energy: -102.299 tors. eta vs tors. theta energy: -195.951 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: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2139.183712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.183712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.183712 (E_RNA) where: Base-Base interactions energy: -1466.345 where: short stacking energy: -637.932 Base-Backbone interact. energy: 0.606 local terms energy: -673.444272 where: bonds (distance) C4'-P energy: -130.079 bonds (distance) P-C4' energy: -131.178 flat angles C4'-P-C4' energy: -132.852 flat angles P-C4'-P energy: -96.995 tors. eta vs tors. theta energy: -182.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1912.137533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.137533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.137533 (E_RNA) where: Base-Base interactions energy: -1314.501 where: short stacking energy: -545.832 Base-Backbone interact. energy: -5.510 local terms energy: -592.126250 where: bonds (distance) C4'-P energy: -114.920 bonds (distance) P-C4' energy: -121.814 flat angles C4'-P-C4' energy: -137.743 flat angles P-C4'-P energy: -74.706 tors. eta vs tors. theta energy: -142.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1859.057745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.057745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.057745 (E_RNA) where: Base-Base interactions energy: -1253.586 where: short stacking energy: -531.229 Base-Backbone interact. energy: -2.525 local terms energy: -602.946658 where: bonds (distance) C4'-P energy: -122.702 bonds (distance) P-C4' energy: -125.760 flat angles C4'-P-C4' energy: -121.587 flat angles P-C4'-P energy: -88.285 tors. eta vs tors. theta energy: -144.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1695.870779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.870779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.870779 (E_RNA) where: Base-Base interactions energy: -1166.035 where: short stacking energy: -481.541 Base-Backbone interact. energy: 0.303 local terms energy: -530.139430 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -112.034 flat angles C4'-P-C4' energy: -122.616 flat angles P-C4'-P energy: -78.881 tors. eta vs tors. theta energy: -120.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1657.591806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.591806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.591806 (E_RNA) where: Base-Base interactions energy: -1109.498 where: short stacking energy: -497.084 Base-Backbone interact. energy: -0.079 local terms energy: -548.014338 where: bonds (distance) C4'-P energy: -120.977 bonds (distance) P-C4' energy: -101.434 flat angles C4'-P-C4' energy: -110.593 flat angles P-C4'-P energy: -88.728 tors. eta vs tors. theta energy: -126.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1010.560439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.560439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.560439 (E_RNA) where: Base-Base interactions energy: -632.474 where: short stacking energy: -306.135 Base-Backbone interact. energy: 0.987 local terms energy: -379.073530 where: bonds (distance) C4'-P energy: -87.349 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -97.880 flat angles P-C4'-P energy: -50.250 tors. eta vs tors. theta energy: -38.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2630.278161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.278161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.278161 (E_RNA) where: Base-Base interactions energy: -1876.552 where: short stacking energy: -741.164 Base-Backbone interact. energy: -0.124 local terms energy: -753.602413 where: bonds (distance) C4'-P energy: -137.092 bonds (distance) P-C4' energy: -126.474 flat angles C4'-P-C4' energy: -152.651 flat angles P-C4'-P energy: -115.268 tors. eta vs tors. theta energy: -222.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2571.016565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.016565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.016565 (E_RNA) where: Base-Base interactions energy: -1804.846 where: short stacking energy: -729.420 Base-Backbone interact. energy: -0.207 local terms energy: -765.963895 where: bonds (distance) C4'-P energy: -136.153 bonds (distance) P-C4' energy: -140.115 flat angles C4'-P-C4' energy: -149.762 flat angles P-C4'-P energy: -109.274 tors. eta vs tors. theta energy: -230.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2455.844113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.844113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.844113 (E_RNA) where: Base-Base interactions energy: -1745.533 where: short stacking energy: -735.811 Base-Backbone interact. energy: -2.481 local terms energy: -707.829833 where: bonds (distance) C4'-P energy: -124.719 bonds (distance) P-C4' energy: -125.089 flat angles C4'-P-C4' energy: -151.975 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -208.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2347.962280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.962280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.962280 (E_RNA) where: Base-Base interactions energy: -1669.536 where: short stacking energy: -662.096 Base-Backbone interact. energy: -0.753 local terms energy: -677.673174 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -121.652 flat angles C4'-P-C4' energy: -150.558 flat angles P-C4'-P energy: -91.585 tors. eta vs tors. theta energy: -194.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2144.785565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.785565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.785565 (E_RNA) where: Base-Base interactions energy: -1474.566 where: short stacking energy: -606.431 Base-Backbone interact. energy: -1.637 local terms energy: -668.582136 where: bonds (distance) C4'-P energy: -128.183 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -144.283 flat angles P-C4'-P energy: -94.515 tors. eta vs tors. theta energy: -184.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1919.829086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.829086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.829086 (E_RNA) where: Base-Base interactions energy: -1339.185 where: short stacking energy: -568.874 Base-Backbone interact. energy: -0.973 local terms energy: -579.671571 where: bonds (distance) C4'-P energy: -100.594 bonds (distance) P-C4' energy: -127.634 flat angles C4'-P-C4' energy: -129.322 flat angles P-C4'-P energy: -79.381 tors. eta vs tors. theta energy: -142.740 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: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1850.274044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.274044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.274044 (E_RNA) where: Base-Base interactions energy: -1278.973 where: short stacking energy: -546.282 Base-Backbone interact. energy: -0.617 local terms energy: -570.683867 where: bonds (distance) C4'-P energy: -94.917 bonds (distance) P-C4' energy: -115.623 flat angles C4'-P-C4' energy: -131.144 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -135.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1736.395563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.395563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.395563 (E_RNA) where: Base-Base interactions energy: -1203.721 where: short stacking energy: -503.089 Base-Backbone interact. energy: 1.399 local terms energy: -534.074261 where: bonds (distance) C4'-P energy: -92.651 bonds (distance) P-C4' energy: -112.451 flat angles C4'-P-C4' energy: -115.431 flat angles P-C4'-P energy: -81.201 tors. eta vs tors. theta energy: -132.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1569.037271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.037271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.037271 (E_RNA) where: Base-Base interactions energy: -1040.679 where: short stacking energy: -452.721 Base-Backbone interact. energy: 2.840 local terms energy: -531.198394 where: bonds (distance) C4'-P energy: -115.438 bonds (distance) P-C4' energy: -112.951 flat angles C4'-P-C4' energy: -120.481 flat angles P-C4'-P energy: -73.114 tors. eta vs tors. theta energy: -109.214 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: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1117.694281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.694281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.694281 (E_RNA) where: Base-Base interactions energy: -672.225 where: short stacking energy: -309.309 Base-Backbone interact. energy: 3.259 local terms energy: -448.728210 where: bonds (distance) C4'-P energy: -126.834 bonds (distance) P-C4' energy: -114.654 flat angles C4'-P-C4' energy: -105.322 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -41.600 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: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2627.794707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.794707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.794707 (E_RNA) where: Base-Base interactions energy: -1880.465 where: short stacking energy: -769.045 Base-Backbone interact. energy: -0.642 local terms energy: -746.688083 where: bonds (distance) C4'-P energy: -133.741 bonds (distance) P-C4' energy: -137.008 flat angles C4'-P-C4' energy: -149.299 flat angles P-C4'-P energy: -100.209 tors. eta vs tors. theta energy: -226.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2551.635065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.635065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.635065 (E_RNA) where: Base-Base interactions energy: -1805.995 where: short stacking energy: -745.064 Base-Backbone interact. energy: -0.770 local terms energy: -744.870236 where: bonds (distance) C4'-P energy: -131.158 bonds (distance) P-C4' energy: -134.087 flat angles C4'-P-C4' energy: -158.709 flat angles P-C4'-P energy: -87.745 tors. eta vs tors. theta energy: -233.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2443.217031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.217031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.217031 (E_RNA) where: Base-Base interactions energy: -1734.559 where: short stacking energy: -725.830 Base-Backbone interact. energy: -2.300 local terms energy: -706.357659 where: bonds (distance) C4'-P energy: -113.913 bonds (distance) P-C4' energy: -129.317 flat angles C4'-P-C4' energy: -154.694 flat angles P-C4'-P energy: -99.525 tors. eta vs tors. theta energy: -208.909 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: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2366.072087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.072087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.072087 (E_RNA) where: Base-Base interactions energy: -1656.076 where: short stacking energy: -681.737 Base-Backbone interact. energy: -1.161 local terms energy: -708.835755 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -131.157 flat angles C4'-P-C4' energy: -154.064 flat angles P-C4'-P energy: -104.556 tors. eta vs tors. theta energy: -201.278 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: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2173.570078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.570078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.570078 (E_RNA) where: Base-Base interactions energy: -1506.905 where: short stacking energy: -667.094 Base-Backbone interact. energy: -2.201 local terms energy: -664.464112 where: bonds (distance) C4'-P energy: -113.004 bonds (distance) P-C4' energy: -125.192 flat angles C4'-P-C4' energy: -142.717 flat angles P-C4'-P energy: -85.848 tors. eta vs tors. theta energy: -197.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1969.905286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.905286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.905286 (E_RNA) where: Base-Base interactions energy: -1349.994 where: short stacking energy: -572.043 Base-Backbone interact. energy: 0.593 local terms energy: -620.503845 where: bonds (distance) C4'-P energy: -111.053 bonds (distance) P-C4' energy: -129.220 flat angles C4'-P-C4' energy: -125.276 flat angles P-C4'-P energy: -97.923 tors. eta vs tors. theta energy: -157.032 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: 103 Temperature: 1.200000 Total energy: -1831.949265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.949265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.949265 (E_RNA) where: Base-Base interactions energy: -1290.403 where: short stacking energy: -529.601 Base-Backbone interact. energy: 2.720 local terms energy: -544.266785 where: bonds (distance) C4'-P energy: -93.788 bonds (distance) P-C4' energy: -107.905 flat angles C4'-P-C4' energy: -120.744 flat angles P-C4'-P energy: -78.239 tors. eta vs tors. theta energy: -143.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1771.061321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.061321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.061321 (E_RNA) where: Base-Base interactions energy: -1191.467 where: short stacking energy: -536.397 Base-Backbone interact. energy: -0.831 local terms energy: -578.764240 where: bonds (distance) C4'-P energy: -103.529 bonds (distance) P-C4' energy: -103.628 flat angles C4'-P-C4' energy: -132.240 flat angles P-C4'-P energy: -87.809 tors. eta vs tors. theta energy: -151.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1643.591175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.591175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.591175 (E_RNA) where: Base-Base interactions energy: -1134.858 where: short stacking energy: -462.787 Base-Backbone interact. energy: -0.669 local terms energy: -508.064343 where: bonds (distance) C4'-P energy: -84.750 bonds (distance) P-C4' energy: -118.412 flat angles C4'-P-C4' energy: -117.524 flat angles P-C4'-P energy: -69.340 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: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1140.275291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.275291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.275291 (E_RNA) where: Base-Base interactions energy: -695.671 where: short stacking energy: -322.585 Base-Backbone interact. energy: 0.292 local terms energy: -444.897157 where: bonds (distance) C4'-P energy: -117.519 bonds (distance) P-C4' energy: -109.288 flat angles C4'-P-C4' energy: -100.937 flat angles P-C4'-P energy: -66.384 tors. eta vs tors. theta energy: -50.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2652.301110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.301110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.301110 (E_RNA) where: Base-Base interactions energy: -1865.323 where: short stacking energy: -757.134 Base-Backbone interact. energy: -0.964 local terms energy: -786.014139 where: bonds (distance) C4'-P energy: -142.068 bonds (distance) P-C4' energy: -142.587 flat angles C4'-P-C4' energy: -160.335 flat angles P-C4'-P energy: -98.459 tors. eta vs tors. theta energy: -242.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2614.566325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.566325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.566325 (E_RNA) where: Base-Base interactions energy: -1879.180 where: short stacking energy: -754.445 Base-Backbone interact. energy: -0.063 local terms energy: -735.323264 where: bonds (distance) C4'-P energy: -120.668 bonds (distance) P-C4' energy: -133.137 flat angles C4'-P-C4' energy: -154.664 flat angles P-C4'-P energy: -104.708 tors. eta vs tors. theta energy: -222.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2476.598742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.598742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.598742 (E_RNA) where: Base-Base interactions energy: -1737.424 where: short stacking energy: -722.540 Base-Backbone interact. energy: -2.883 local terms energy: -736.291557 where: bonds (distance) C4'-P energy: -130.811 bonds (distance) P-C4' energy: -126.615 flat angles C4'-P-C4' energy: -155.209 flat angles P-C4'-P energy: -105.723 tors. eta vs tors. theta energy: -217.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2314.017045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.017045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.017045 (E_RNA) where: Base-Base interactions energy: -1645.737 where: short stacking energy: -657.353 Base-Backbone interact. energy: -0.490 local terms energy: -667.790036 where: bonds (distance) C4'-P energy: -116.528 bonds (distance) P-C4' energy: -113.275 flat angles C4'-P-C4' energy: -139.195 flat angles P-C4'-P energy: -98.639 tors. eta vs tors. theta energy: -200.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2136.569491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.569491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.569491 (E_RNA) where: Base-Base interactions energy: -1452.129 where: short stacking energy: -605.731 Base-Backbone interact. energy: -3.686 local terms energy: -680.754682 where: bonds (distance) C4'-P energy: -124.460 bonds (distance) P-C4' energy: -129.621 flat angles C4'-P-C4' energy: -139.936 flat angles P-C4'-P energy: -111.592 tors. eta vs tors. theta energy: -175.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1996.530026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.530026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.530026 (E_RNA) where: Base-Base interactions energy: -1372.219 where: short stacking energy: -579.953 Base-Backbone interact. energy: 0.708 local terms energy: -625.019018 where: bonds (distance) C4'-P energy: -107.044 bonds (distance) P-C4' energy: -118.450 flat angles C4'-P-C4' energy: -138.641 flat angles P-C4'-P energy: -97.027 tors. eta vs tors. theta energy: -163.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1864.629563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.629563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.629563 (E_RNA) where: Base-Base interactions energy: -1324.176 where: short stacking energy: -559.416 Base-Backbone interact. energy: 5.391 local terms energy: -545.844316 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -107.269 flat angles C4'-P-C4' energy: -137.231 flat angles P-C4'-P energy: -73.756 tors. eta vs tors. theta energy: -143.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1718.951551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.951551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.951551 (E_RNA) where: Base-Base interactions energy: -1136.817 where: short stacking energy: -494.314 Base-Backbone interact. energy: 0.008 local terms energy: -582.143190 where: bonds (distance) C4'-P energy: -106.613 bonds (distance) P-C4' energy: -126.070 flat angles C4'-P-C4' energy: -118.139 flat angles P-C4'-P energy: -88.957 tors. eta vs tors. theta energy: -142.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1670.972700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.972700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.972700 (E_RNA) where: Base-Base interactions energy: -1115.539 where: short stacking energy: -471.248 Base-Backbone interact. energy: -1.888 local terms energy: -553.546108 where: bonds (distance) C4'-P energy: -106.619 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -122.712 flat angles P-C4'-P energy: -83.466 tors. eta vs tors. theta energy: -125.678 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: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1133.637102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.637102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.637102 (E_RNA) where: Base-Base interactions energy: -707.503 where: short stacking energy: -311.988 Base-Backbone interact. energy: 2.617 local terms energy: -428.751189 where: bonds (distance) C4'-P energy: -123.533 bonds (distance) P-C4' energy: -114.103 flat angles C4'-P-C4' energy: -112.920 flat angles P-C4'-P energy: -43.164 tors. eta vs tors. theta energy: -35.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2613.656503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.656503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.656503 (E_RNA) where: Base-Base interactions energy: -1861.431 where: short stacking energy: -758.395 Base-Backbone interact. energy: -2.129 local terms energy: -750.096530 where: bonds (distance) C4'-P energy: -138.137 bonds (distance) P-C4' energy: -132.116 flat angles C4'-P-C4' energy: -144.008 flat angles P-C4'-P energy: -100.723 tors. eta vs tors. theta energy: -235.112 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: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2616.562288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.562288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.562288 (E_RNA) where: Base-Base interactions energy: -1873.530 where: short stacking energy: -764.149 Base-Backbone interact. energy: 2.642 local terms energy: -745.674692 where: bonds (distance) C4'-P energy: -132.885 bonds (distance) P-C4' energy: -137.265 flat angles C4'-P-C4' energy: -147.176 flat angles P-C4'-P energy: -100.918 tors. eta vs tors. theta energy: -227.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2424.172683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.172683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.172683 (E_RNA) where: Base-Base interactions energy: -1742.059 where: short stacking energy: -716.643 Base-Backbone interact. energy: 0.544 local terms energy: -682.657721 where: bonds (distance) C4'-P energy: -112.527 bonds (distance) P-C4' energy: -119.625 flat angles C4'-P-C4' energy: -143.840 flat angles P-C4'-P energy: -101.824 tors. eta vs tors. theta energy: -204.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2330.108647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.108647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.108647 (E_RNA) where: Base-Base interactions energy: -1663.884 where: short stacking energy: -650.616 Base-Backbone interact. energy: 0.229 local terms energy: -666.454015 where: bonds (distance) C4'-P energy: -125.894 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -146.407 flat angles P-C4'-P energy: -78.321 tors. eta vs tors. theta energy: -190.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2165.453298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.453298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.453298 (E_RNA) where: Base-Base interactions energy: -1492.812 where: short stacking energy: -619.711 Base-Backbone interact. energy: -0.732 local terms energy: -671.909348 where: bonds (distance) C4'-P energy: -102.695 bonds (distance) P-C4' energy: -138.812 flat angles C4'-P-C4' energy: -143.745 flat angles P-C4'-P energy: -99.691 tors. eta vs tors. theta energy: -186.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2010.023507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.023507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.023507 (E_RNA) where: Base-Base interactions energy: -1346.198 where: short stacking energy: -581.708 Base-Backbone interact. energy: -1.811 local terms energy: -662.014548 where: bonds (distance) C4'-P energy: -119.074 bonds (distance) P-C4' energy: -137.623 flat angles C4'-P-C4' energy: -144.373 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -167.099 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: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1876.856161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.856161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.856161 (E_RNA) where: Base-Base interactions energy: -1291.200 where: short stacking energy: -551.564 Base-Backbone interact. energy: -0.549 local terms energy: -585.107591 where: bonds (distance) C4'-P energy: -116.593 bonds (distance) P-C4' energy: -115.243 flat angles C4'-P-C4' energy: -137.749 flat angles P-C4'-P energy: -82.636 tors. eta vs tors. theta energy: -132.885 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: 3 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1776.956540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.956540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.956540 (E_RNA) where: Base-Base interactions energy: -1234.427 where: short stacking energy: -495.236 Base-Backbone interact. energy: 3.211 local terms energy: -545.740845 where: bonds (distance) C4'-P energy: -108.842 bonds (distance) P-C4' energy: -124.814 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -75.655 tors. eta vs tors. theta energy: -132.211 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: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1626.398286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.398286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.398286 (E_RNA) where: Base-Base interactions energy: -1118.588 where: short stacking energy: -464.524 Base-Backbone interact. energy: 1.761 local terms energy: -509.570754 where: bonds (distance) C4'-P energy: -87.401 bonds (distance) P-C4' energy: -122.598 flat angles C4'-P-C4' energy: -119.395 flat angles P-C4'-P energy: -62.874 tors. eta vs tors. theta energy: -117.302 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: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1077.802948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.802948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.802948 (E_RNA) where: Base-Base interactions energy: -656.062 where: short stacking energy: -297.733 Base-Backbone interact. energy: -2.326 local terms energy: -419.415316 where: bonds (distance) C4'-P energy: -114.002 bonds (distance) P-C4' energy: -106.414 flat angles C4'-P-C4' energy: -99.451 flat angles P-C4'-P energy: -58.482 tors. eta vs tors. theta energy: -41.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2640.628786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.628786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.628786 (E_RNA) where: Base-Base interactions energy: -1874.481 where: short stacking energy: -769.239 Base-Backbone interact. energy: -1.328 local terms energy: -764.819456 where: bonds (distance) C4'-P energy: -134.819 bonds (distance) P-C4' energy: -133.550 flat angles C4'-P-C4' energy: -158.352 flat angles P-C4'-P energy: -109.306 tors. eta vs tors. theta energy: -228.793 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: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2551.721047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.721047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.721047 (E_RNA) where: Base-Base interactions energy: -1842.199 where: short stacking energy: -748.452 Base-Backbone interact. energy: -2.064 local terms energy: -707.457576 where: bonds (distance) C4'-P energy: -109.410 bonds (distance) P-C4' energy: -125.304 flat angles C4'-P-C4' energy: -148.684 flat angles P-C4'-P energy: -97.463 tors. eta vs tors. theta energy: -226.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2410.483882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.483882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.483882 (E_RNA) where: Base-Base interactions energy: -1700.255 where: short stacking energy: -668.871 Base-Backbone interact. energy: 2.045 local terms energy: -712.274393 where: bonds (distance) C4'-P energy: -127.999 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -151.216 flat angles P-C4'-P energy: -102.552 tors. eta vs tors. theta energy: -194.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2315.590118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.590118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.590118 (E_RNA) where: Base-Base interactions energy: -1623.951 where: short stacking energy: -683.260 Base-Backbone interact. energy: -0.529 local terms energy: -691.109995 where: bonds (distance) C4'-P energy: -124.956 bonds (distance) P-C4' energy: -125.067 flat angles C4'-P-C4' energy: -148.736 flat angles P-C4'-P energy: -96.527 tors. eta vs tors. theta energy: -195.823 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: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2197.362272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.362272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.362272 (E_RNA) where: Base-Base interactions energy: -1536.511 where: short stacking energy: -650.370 Base-Backbone interact. energy: 1.412 local terms energy: -662.263161 where: bonds (distance) C4'-P energy: -110.186 bonds (distance) P-C4' energy: -113.858 flat angles C4'-P-C4' energy: -140.164 flat angles P-C4'-P energy: -102.677 tors. eta vs tors. theta energy: -195.378 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: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2103.071300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.071300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.071300 (E_RNA) where: Base-Base interactions energy: -1463.784 where: short stacking energy: -638.121 Base-Backbone interact. energy: -0.208 local terms energy: -639.079245 where: bonds (distance) C4'-P energy: -113.742 bonds (distance) P-C4' energy: -103.633 flat angles C4'-P-C4' energy: -135.646 flat angles P-C4'-P energy: -104.496 tors. eta vs tors. theta energy: -181.563 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: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1927.697645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.697645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.697645 (E_RNA) where: Base-Base interactions energy: -1310.868 where: short stacking energy: -535.832 Base-Backbone interact. energy: -1.375 local terms energy: -615.454365 where: bonds (distance) C4'-P energy: -129.982 bonds (distance) P-C4' energy: -119.915 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -89.560 tors. eta vs tors. theta energy: -148.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1807.124561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.124561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.124561 (E_RNA) where: Base-Base interactions energy: -1237.084 where: short stacking energy: -520.201 Base-Backbone interact. energy: -4.008 local terms energy: -566.032389 where: bonds (distance) C4'-P energy: -117.895 bonds (distance) P-C4' energy: -110.068 flat angles C4'-P-C4' energy: -122.401 flat angles P-C4'-P energy: -78.304 tors. eta vs tors. theta energy: -137.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1642.645026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.645026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.645026 (E_RNA) where: Base-Base interactions energy: -1114.813 where: short stacking energy: -491.207 Base-Backbone interact. energy: 1.887 local terms energy: -529.719480 where: bonds (distance) C4'-P energy: -102.397 bonds (distance) P-C4' energy: -112.222 flat angles C4'-P-C4' energy: -119.909 flat angles P-C4'-P energy: -77.167 tors. eta vs tors. theta energy: -118.025 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: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1056.891149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.891149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.891149 (E_RNA) where: Base-Base interactions energy: -644.585 where: short stacking energy: -312.999 Base-Backbone interact. energy: 2.008 local terms energy: -414.313699 where: bonds (distance) C4'-P energy: -97.229 bonds (distance) P-C4' energy: -114.221 flat angles C4'-P-C4' energy: -82.748 flat angles P-C4'-P energy: -65.293 tors. eta vs tors. theta energy: -54.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2625.510691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.510691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.510691 (E_RNA) where: Base-Base interactions energy: -1855.255 where: short stacking energy: -748.927 Base-Backbone interact. energy: 3.895 local terms energy: -774.150724 where: bonds (distance) C4'-P energy: -137.078 bonds (distance) P-C4' energy: -129.009 flat angles C4'-P-C4' energy: -167.047 flat angles P-C4'-P energy: -118.322 tors. eta vs tors. theta energy: -222.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2575.868455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.868455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.868455 (E_RNA) where: Base-Base interactions energy: -1834.894 where: short stacking energy: -731.115 Base-Backbone interact. energy: -4.599 local terms energy: -736.375900 where: bonds (distance) C4'-P energy: -135.440 bonds (distance) P-C4' energy: -112.370 flat angles C4'-P-C4' energy: -156.412 flat angles P-C4'-P energy: -104.808 tors. eta vs tors. theta energy: -227.345 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: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2446.972016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.972016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.972016 (E_RNA) where: Base-Base interactions energy: -1734.423 where: short stacking energy: -713.814 Base-Backbone interact. energy: 4.126 local terms energy: -716.675662 where: bonds (distance) C4'-P energy: -125.361 bonds (distance) P-C4' energy: -133.272 flat angles C4'-P-C4' energy: -151.961 flat angles P-C4'-P energy: -98.981 tors. eta vs tors. theta energy: -207.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2325.141950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.141950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.141950 (E_RNA) where: Base-Base interactions energy: -1630.221 where: short stacking energy: -674.164 Base-Backbone interact. energy: -5.455 local terms energy: -689.465773 where: bonds (distance) C4'-P energy: -110.916 bonds (distance) P-C4' energy: -124.374 flat angles C4'-P-C4' energy: -153.069 flat angles P-C4'-P energy: -102.314 tors. eta vs tors. theta energy: -198.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2194.243184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.243184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.243184 (E_RNA) where: Base-Base interactions energy: -1521.402 where: short stacking energy: -617.959 Base-Backbone interact. energy: 0.535 local terms energy: -673.375503 where: bonds (distance) C4'-P energy: -130.110 bonds (distance) P-C4' energy: -123.390 flat angles C4'-P-C4' energy: -133.055 flat angles P-C4'-P energy: -104.346 tors. eta vs tors. theta energy: -182.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2203.455859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.455859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.455859 (E_RNA) where: Base-Base interactions energy: -1545.101 where: short stacking energy: -635.415 Base-Backbone interact. energy: 2.347 local terms energy: -660.701734 where: bonds (distance) C4'-P energy: -98.360 bonds (distance) P-C4' energy: -136.645 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -86.310 tors. eta vs tors. theta energy: -198.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1978.998780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.998780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.998780 (E_RNA) where: Base-Base interactions energy: -1370.885 where: short stacking energy: -561.523 Base-Backbone interact. energy: 0.257 local terms energy: -608.371438 where: bonds (distance) C4'-P energy: -101.413 bonds (distance) P-C4' energy: -118.257 flat angles C4'-P-C4' energy: -133.829 flat angles P-C4'-P energy: -93.230 tors. eta vs tors. theta energy: -161.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1793.149847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.149847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.149847 (E_RNA) where: Base-Base interactions energy: -1216.332 where: short stacking energy: -498.223 Base-Backbone interact. energy: -1.412 local terms energy: -575.405522 where: bonds (distance) C4'-P energy: -118.123 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -123.438 flat angles P-C4'-P energy: -94.773 tors. eta vs tors. theta energy: -124.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1486.816567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.816567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.816567 (E_RNA) where: Base-Base interactions energy: -1032.458 where: short stacking energy: -444.828 Base-Backbone interact. energy: -2.200 local terms energy: -452.158768 where: bonds (distance) C4'-P energy: -97.772 bonds (distance) P-C4' energy: -92.802 flat angles C4'-P-C4' energy: -109.362 flat angles P-C4'-P energy: -55.445 tors. eta vs tors. theta energy: -96.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -998.835039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.835039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.835039 (E_RNA) where: Base-Base interactions energy: -590.185 where: short stacking energy: -273.966 Base-Backbone interact. energy: -1.734 local terms energy: -406.915841 where: bonds (distance) C4'-P energy: -111.545 bonds (distance) P-C4' energy: -103.146 flat angles C4'-P-C4' energy: -97.721 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -32.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2650.634667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.634667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.634667 (E_RNA) where: Base-Base interactions energy: -1885.430 where: short stacking energy: -758.759 Base-Backbone interact. energy: 0.737 local terms energy: -765.941681 where: bonds (distance) C4'-P energy: -126.830 bonds (distance) P-C4' energy: -140.722 flat angles C4'-P-C4' energy: -151.629 flat angles P-C4'-P energy: -114.960 tors. eta vs tors. theta energy: -231.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2579.606079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.606079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.606079 (E_RNA) where: Base-Base interactions energy: -1826.496 where: short stacking energy: -734.721 Base-Backbone interact. energy: -4.507 local terms energy: -748.602191 where: bonds (distance) C4'-P energy: -128.579 bonds (distance) P-C4' energy: -148.128 flat angles C4'-P-C4' energy: -144.478 flat angles P-C4'-P energy: -104.785 tors. eta vs tors. theta energy: -222.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2444.244944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.244944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.244944 (E_RNA) where: Base-Base interactions energy: -1733.597 where: short stacking energy: -701.739 Base-Backbone interact. energy: 0.485 local terms energy: -711.132732 where: bonds (distance) C4'-P energy: -114.535 bonds (distance) P-C4' energy: -127.124 flat angles C4'-P-C4' energy: -154.463 flat angles P-C4'-P energy: -111.127 tors. eta vs tors. theta energy: -203.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2351.799702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.799702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.799702 (E_RNA) where: Base-Base interactions energy: -1630.479 where: short stacking energy: -684.177 Base-Backbone interact. energy: 0.985 local terms energy: -722.306513 where: bonds (distance) C4'-P energy: -130.399 bonds (distance) P-C4' energy: -131.895 flat angles C4'-P-C4' energy: -153.111 flat angles P-C4'-P energy: -107.599 tors. eta vs tors. theta energy: -199.302 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: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2152.905070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.905070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.905070 (E_RNA) where: Base-Base interactions energy: -1507.573 where: short stacking energy: -644.355 Base-Backbone interact. energy: -0.332 local terms energy: -645.000246 where: bonds (distance) C4'-P energy: -115.785 bonds (distance) P-C4' energy: -116.046 flat angles C4'-P-C4' energy: -134.951 flat angles P-C4'-P energy: -89.165 tors. eta vs tors. theta energy: -189.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2200.719757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.719757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.719757 (E_RNA) where: Base-Base interactions energy: -1550.617 where: short stacking energy: -620.854 Base-Backbone interact. energy: -2.670 local terms energy: -647.432088 where: bonds (distance) C4'-P energy: -114.027 bonds (distance) P-C4' energy: -120.158 flat angles C4'-P-C4' energy: -143.110 flat angles P-C4'-P energy: -102.428 tors. eta vs tors. theta energy: -167.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2002.583186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.583186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.583186 (E_RNA) where: Base-Base interactions energy: -1386.079 where: short stacking energy: -572.777 Base-Backbone interact. energy: -3.038 local terms energy: -613.466518 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -130.284 flat angles C4'-P-C4' energy: -127.398 flat angles P-C4'-P energy: -77.083 tors. eta vs tors. theta energy: -165.448 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: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1789.785394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.785394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.785394 (E_RNA) where: Base-Base interactions energy: -1250.394 where: short stacking energy: -513.596 Base-Backbone interact. energy: 2.684 local terms energy: -542.075662 where: bonds (distance) C4'-P energy: -115.959 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -53.576 tors. eta vs tors. theta energy: -141.393 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: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1389.518475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.518475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.518475 (E_RNA) where: Base-Base interactions energy: -903.018 where: short stacking energy: -406.337 Base-Backbone interact. energy: 1.587 local terms energy: -488.087667 where: bonds (distance) C4'-P energy: -82.357 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -143.829 flat angles P-C4'-P energy: -67.581 tors. eta vs tors. theta energy: -85.873 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: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1028.069145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.069145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.069145 (E_RNA) where: Base-Base interactions energy: -646.270 where: short stacking energy: -309.511 Base-Backbone interact. energy: -2.195 local terms energy: -379.603631 where: bonds (distance) C4'-P energy: -103.409 bonds (distance) P-C4' energy: -96.495 flat angles C4'-P-C4' energy: -106.878 flat angles P-C4'-P energy: -36.174 tors. eta vs tors. theta energy: -36.648 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: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2657.886541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.886541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.886541 (E_RNA) where: Base-Base interactions energy: -1900.114 where: short stacking energy: -778.179 Base-Backbone interact. energy: -0.613 local terms energy: -757.158936 where: bonds (distance) C4'-P energy: -128.914 bonds (distance) P-C4' energy: -132.775 flat angles C4'-P-C4' energy: -162.917 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -230.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2575.216341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.216341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.216341 (E_RNA) where: Base-Base interactions energy: -1822.801 where: short stacking energy: -729.599 Base-Backbone interact. energy: -2.335 local terms energy: -750.080687 where: bonds (distance) C4'-P energy: -131.742 bonds (distance) P-C4' energy: -134.780 flat angles C4'-P-C4' energy: -152.982 flat angles P-C4'-P energy: -100.960 tors. eta vs tors. theta energy: -229.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2397.349012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.349012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.349012 (E_RNA) where: Base-Base interactions energy: -1683.698 where: short stacking energy: -681.498 Base-Backbone interact. energy: -1.952 local terms energy: -711.699436 where: bonds (distance) C4'-P energy: -142.624 bonds (distance) P-C4' energy: -128.300 flat angles C4'-P-C4' energy: -141.180 flat angles P-C4'-P energy: -92.146 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: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2358.256288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.256288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.256288 (E_RNA) where: Base-Base interactions energy: -1695.695 where: short stacking energy: -667.119 Base-Backbone interact. energy: 2.101 local terms energy: -664.661866 where: bonds (distance) C4'-P energy: -119.880 bonds (distance) P-C4' energy: -128.493 flat angles C4'-P-C4' energy: -142.867 flat angles P-C4'-P energy: -84.757 tors. eta vs tors. theta energy: -188.665 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: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2176.597558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.597558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.597558 (E_RNA) where: Base-Base interactions energy: -1523.309 where: short stacking energy: -634.487 Base-Backbone interact. energy: -2.461 local terms energy: -650.828178 where: bonds (distance) C4'-P energy: -126.323 bonds (distance) P-C4' energy: -116.295 flat angles C4'-P-C4' energy: -137.929 flat angles P-C4'-P energy: -80.332 tors. eta vs tors. theta energy: -189.950 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: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2210.034227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.034227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.034227 (E_RNA) where: Base-Base interactions energy: -1575.271 where: short stacking energy: -631.815 Base-Backbone interact. energy: -2.033 local terms energy: -632.730857 where: bonds (distance) C4'-P energy: -91.458 bonds (distance) P-C4' energy: -117.915 flat angles C4'-P-C4' energy: -144.402 flat angles P-C4'-P energy: -88.001 tors. eta vs tors. theta energy: -190.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1980.095677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.095677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.095677 (E_RNA) where: Base-Base interactions energy: -1395.112 where: short stacking energy: -564.014 Base-Backbone interact. energy: -2.715 local terms energy: -582.269208 where: bonds (distance) C4'-P energy: -102.544 bonds (distance) P-C4' energy: -97.503 flat angles C4'-P-C4' energy: -134.620 flat angles P-C4'-P energy: -89.786 tors. eta vs tors. theta energy: -157.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1768.165765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.165765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.165765 (E_RNA) where: Base-Base interactions energy: -1195.909 where: short stacking energy: -507.488 Base-Backbone interact. energy: -0.431 local terms energy: -571.826527 where: bonds (distance) C4'-P energy: -112.213 bonds (distance) P-C4' energy: -126.269 flat angles C4'-P-C4' energy: -105.418 flat angles P-C4'-P energy: -84.697 tors. eta vs tors. theta energy: -143.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1421.583989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.583989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.583989 (E_RNA) where: Base-Base interactions energy: -929.324 where: short stacking energy: -424.064 Base-Backbone interact. energy: -1.553 local terms energy: -490.707414 where: bonds (distance) C4'-P energy: -95.709 bonds (distance) P-C4' energy: -100.997 flat angles C4'-P-C4' energy: -122.607 flat angles P-C4'-P energy: -67.861 tors. eta vs tors. theta energy: -103.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1048.977637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.977637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.977637 (E_RNA) where: Base-Base interactions energy: -605.515 where: short stacking energy: -290.021 Base-Backbone interact. energy: -2.224 local terms energy: -441.238469 where: bonds (distance) C4'-P energy: -102.721 bonds (distance) P-C4' energy: -106.574 flat angles C4'-P-C4' energy: -107.546 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -46.744 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: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2626.128696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.128696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.128696 (E_RNA) where: Base-Base interactions energy: -1868.058 where: short stacking energy: -748.722 Base-Backbone interact. energy: -2.799 local terms energy: -755.272582 where: bonds (distance) C4'-P energy: -133.250 bonds (distance) P-C4' energy: -127.134 flat angles C4'-P-C4' energy: -157.206 flat angles P-C4'-P energy: -113.074 tors. eta vs tors. theta energy: -224.608 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: 2, replica: 7 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2587.613233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.613233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.613233 (E_RNA) where: Base-Base interactions energy: -1844.468 where: short stacking energy: -747.457 Base-Backbone interact. energy: -1.518 local terms energy: -741.627263 where: bonds (distance) C4'-P energy: -122.980 bonds (distance) P-C4' energy: -128.266 flat angles C4'-P-C4' energy: -154.096 flat angles P-C4'-P energy: -102.696 tors. eta vs tors. theta energy: -233.588 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: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2413.813963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.813963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.813963 (E_RNA) where: Base-Base interactions energy: -1703.969 where: short stacking energy: -688.522 Base-Backbone interact. energy: -0.872 local terms energy: -708.973413 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -127.726 flat angles C4'-P-C4' energy: -145.754 flat angles P-C4'-P energy: -112.758 tors. eta vs tors. theta energy: -198.057 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: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2345.675367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.675367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.675367 (E_RNA) where: Base-Base interactions energy: -1647.926 where: short stacking energy: -676.209 Base-Backbone interact. energy: -2.880 local terms energy: -694.869173 where: bonds (distance) C4'-P energy: -121.388 bonds (distance) P-C4' energy: -136.574 flat angles C4'-P-C4' energy: -141.614 flat angles P-C4'-P energy: -99.462 tors. eta vs tors. theta energy: -195.831 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: 110 Temperature: 1.100000 Total energy: -2302.903577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.903577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.903577 (E_RNA) where: Base-Base interactions energy: -1649.728 where: short stacking energy: -661.489 Base-Backbone interact. energy: -2.642 local terms energy: -650.532978 where: bonds (distance) C4'-P energy: -127.143 bonds (distance) P-C4' energy: -96.043 flat angles C4'-P-C4' energy: -135.309 flat angles P-C4'-P energy: -102.049 tors. eta vs tors. theta energy: -189.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2131.320641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.320641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.320641 (E_RNA) where: Base-Base interactions energy: -1515.687 where: short stacking energy: -630.337 Base-Backbone interact. energy: -2.200 local terms energy: -613.433006 where: bonds (distance) C4'-P energy: -100.155 bonds (distance) P-C4' energy: -102.416 flat angles C4'-P-C4' energy: -132.863 flat angles P-C4'-P energy: -93.710 tors. eta vs tors. theta energy: -184.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1951.870631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.870631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.870631 (E_RNA) where: Base-Base interactions energy: -1378.393 where: short stacking energy: -563.227 Base-Backbone interact. energy: -1.667 local terms energy: -571.811265 where: bonds (distance) C4'-P energy: -82.907 bonds (distance) P-C4' energy: -101.360 flat angles C4'-P-C4' energy: -142.878 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -165.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1749.757311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.757311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.757311 (E_RNA) where: Base-Base interactions energy: -1186.953 where: short stacking energy: -502.953 Base-Backbone interact. energy: -1.256 local terms energy: -561.548411 where: bonds (distance) C4'-P energy: -97.096 bonds (distance) P-C4' energy: -112.386 flat angles C4'-P-C4' energy: -134.148 flat angles P-C4'-P energy: -79.768 tors. eta vs tors. theta energy: -138.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1430.787214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.787214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.787214 (E_RNA) where: Base-Base interactions energy: -915.639 where: short stacking energy: -400.906 Base-Backbone interact. energy: 3.949 local terms energy: -519.097849 where: bonds (distance) C4'-P energy: -104.579 bonds (distance) P-C4' energy: -115.335 flat angles C4'-P-C4' energy: -123.257 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: -93.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1080.616863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.616863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.616863 (E_RNA) where: Base-Base interactions energy: -646.579 where: short stacking energy: -288.579 Base-Backbone interact. energy: 1.760 local terms energy: -435.798084 where: bonds (distance) C4'-P energy: -88.114 bonds (distance) P-C4' energy: -128.006 flat angles C4'-P-C4' energy: -107.564 flat angles P-C4'-P energy: -56.786 tors. eta vs tors. theta energy: -55.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2684.358830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.358830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.358830 (E_RNA) where: Base-Base interactions energy: -1896.341 where: short stacking energy: -761.009 Base-Backbone interact. energy: -1.226 local terms energy: -786.792281 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -140.739 flat angles C4'-P-C4' energy: -167.774 flat angles P-C4'-P energy: -116.068 tors. eta vs tors. theta energy: -230.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2551.411567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.411567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.411567 (E_RNA) where: Base-Base interactions energy: -1793.285 where: short stacking energy: -711.456 Base-Backbone interact. energy: -0.792 local terms energy: -757.334481 where: bonds (distance) C4'-P energy: -136.131 bonds (distance) P-C4' energy: -136.825 flat angles C4'-P-C4' energy: -153.693 flat angles P-C4'-P energy: -105.588 tors. eta vs tors. theta energy: -225.098 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: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2452.318551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.318551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.318551 (E_RNA) where: Base-Base interactions energy: -1736.399 where: short stacking energy: -696.086 Base-Backbone interact. energy: -1.372 local terms energy: -714.547473 where: bonds (distance) C4'-P energy: -125.312 bonds (distance) P-C4' energy: -128.434 flat angles C4'-P-C4' energy: -156.993 flat angles P-C4'-P energy: -94.695 tors. eta vs tors. theta energy: -209.113 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: 111 Temperature: 1.050000 Total energy: -2380.125771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.125771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.125771 (E_RNA) where: Base-Base interactions energy: -1683.689 where: short stacking energy: -685.222 Base-Backbone interact. energy: -1.625 local terms energy: -694.812565 where: bonds (distance) C4'-P energy: -129.279 bonds (distance) P-C4' energy: -115.096 flat angles C4'-P-C4' energy: -151.027 flat angles P-C4'-P energy: -95.926 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: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2250.170300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.170300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.170300 (E_RNA) where: Base-Base interactions energy: -1607.006 where: short stacking energy: -659.078 Base-Backbone interact. energy: -2.331 local terms energy: -640.833129 where: bonds (distance) C4'-P energy: -102.501 bonds (distance) P-C4' energy: -122.302 flat angles C4'-P-C4' energy: -146.694 flat angles P-C4'-P energy: -85.547 tors. eta vs tors. theta energy: -183.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2090.905428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.905428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.905428 (E_RNA) where: Base-Base interactions energy: -1443.610 where: short stacking energy: -596.766 Base-Backbone interact. energy: -1.272 local terms energy: -646.023332 where: bonds (distance) C4'-P energy: -120.786 bonds (distance) P-C4' energy: -127.634 flat angles C4'-P-C4' energy: -145.045 flat angles P-C4'-P energy: -78.039 tors. eta vs tors. theta energy: -174.519 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: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1891.859006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.859006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.859006 (E_RNA) where: Base-Base interactions energy: -1291.197 where: short stacking energy: -572.596 Base-Backbone interact. energy: -2.824 local terms energy: -597.838567 where: bonds (distance) C4'-P energy: -109.954 bonds (distance) P-C4' energy: -127.647 flat angles C4'-P-C4' energy: -126.666 flat angles P-C4'-P energy: -80.155 tors. eta vs tors. theta energy: -153.416 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: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1666.994393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.994393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.994393 (E_RNA) where: Base-Base interactions energy: -1180.178 where: short stacking energy: -491.041 Base-Backbone interact. energy: -0.683 local terms energy: -486.133602 where: bonds (distance) C4'-P energy: -83.925 bonds (distance) P-C4' energy: -104.041 flat angles C4'-P-C4' energy: -105.681 flat angles P-C4'-P energy: -76.824 tors. eta vs tors. theta energy: -115.663 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1426.482328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.482328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.482328 (E_RNA) where: Base-Base interactions energy: -937.045 where: short stacking energy: -423.489 Base-Backbone interact. energy: 2.111 local terms energy: -491.548469 where: bonds (distance) C4'-P energy: -107.188 bonds (distance) P-C4' energy: -109.731 flat angles C4'-P-C4' energy: -105.081 flat angles P-C4'-P energy: -77.778 tors. eta vs tors. theta energy: -91.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1176.512813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.512813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.512813 (E_RNA) where: Base-Base interactions energy: -755.079 where: short stacking energy: -326.156 Base-Backbone interact. energy: -2.078 local terms energy: -419.355740 where: bonds (distance) C4'-P energy: -108.126 bonds (distance) P-C4' energy: -92.043 flat angles C4'-P-C4' energy: -100.885 flat angles P-C4'-P energy: -63.076 tors. eta vs tors. theta energy: -55.226 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: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2669.033352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.033352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.033352 (E_RNA) where: Base-Base interactions energy: -1908.441 where: short stacking energy: -769.004 Base-Backbone interact. energy: 1.332 local terms energy: -761.924959 where: bonds (distance) C4'-P energy: -124.039 bonds (distance) P-C4' energy: -143.576 flat angles C4'-P-C4' energy: -153.309 flat angles P-C4'-P energy: -113.987 tors. eta vs tors. theta energy: -227.013 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: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2568.796676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.796676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.796676 (E_RNA) where: Base-Base interactions energy: -1782.774 where: short stacking energy: -731.685 Base-Backbone interact. energy: 1.037 local terms energy: -787.059502 where: bonds (distance) C4'-P energy: -146.040 bonds (distance) P-C4' energy: -144.798 flat angles C4'-P-C4' energy: -155.576 flat angles P-C4'-P energy: -114.922 tors. eta vs tors. theta energy: -225.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2497.498291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.498291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.498291 (E_RNA) where: Base-Base interactions energy: -1768.992 where: short stacking energy: -726.454 Base-Backbone interact. energy: -3.654 local terms energy: -724.851832 where: bonds (distance) C4'-P energy: -125.582 bonds (distance) P-C4' energy: -122.449 flat angles C4'-P-C4' energy: -146.298 flat angles P-C4'-P energy: -111.964 tors. eta vs tors. theta energy: -218.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2374.574399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.574399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.574399 (E_RNA) where: Base-Base interactions energy: -1724.434 where: short stacking energy: -684.528 Base-Backbone interact. energy: -0.263 local terms energy: -649.876881 where: bonds (distance) C4'-P energy: -122.634 bonds (distance) P-C4' energy: -104.549 flat angles C4'-P-C4' energy: -147.491 flat angles P-C4'-P energy: -79.830 tors. eta vs tors. theta energy: -195.372 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: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2287.660156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.660156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.660156 (E_RNA) where: Base-Base interactions energy: -1616.656 where: short stacking energy: -643.897 Base-Backbone interact. energy: -5.394 local terms energy: -665.609567 where: bonds (distance) C4'-P energy: -114.765 bonds (distance) P-C4' energy: -140.656 flat angles C4'-P-C4' energy: -133.363 flat angles P-C4'-P energy: -84.739 tors. eta vs tors. theta energy: -192.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2058.652358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.652358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.652358 (E_RNA) where: Base-Base interactions energy: -1441.971 where: short stacking energy: -593.130 Base-Backbone interact. energy: -3.167 local terms energy: -613.514734 where: bonds (distance) C4'-P energy: -104.268 bonds (distance) P-C4' energy: -114.360 flat angles C4'-P-C4' energy: -133.446 flat angles P-C4'-P energy: -84.098 tors. eta vs tors. theta energy: -177.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1920.574727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.574727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.574727 (E_RNA) where: Base-Base interactions energy: -1353.341 where: short stacking energy: -560.218 Base-Backbone interact. energy: -1.957 local terms energy: -565.276785 where: bonds (distance) C4'-P energy: -107.339 bonds (distance) P-C4' energy: -96.813 flat angles C4'-P-C4' energy: -130.027 flat angles P-C4'-P energy: -74.377 tors. eta vs tors. theta energy: -156.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1686.686717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.686717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.686717 (E_RNA) where: Base-Base interactions energy: -1156.304 where: short stacking energy: -483.583 Base-Backbone interact. energy: -1.180 local terms energy: -529.203476 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -111.802 flat angles C4'-P-C4' energy: -126.655 flat angles P-C4'-P energy: -73.146 tors. eta vs tors. theta energy: -131.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1397.491965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.491965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.491965 (E_RNA) where: Base-Base interactions energy: -921.585 where: short stacking energy: -416.905 Base-Backbone interact. energy: -2.528 local terms energy: -473.378366 where: bonds (distance) C4'-P energy: -99.150 bonds (distance) P-C4' energy: -95.103 flat angles C4'-P-C4' energy: -124.442 flat angles P-C4'-P energy: -68.202 tors. eta vs tors. theta energy: -86.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1115.324310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.324310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.324310 (E_RNA) where: Base-Base interactions energy: -702.764 where: short stacking energy: -318.867 Base-Backbone interact. energy: -5.161 local terms energy: -407.399475 where: bonds (distance) C4'-P energy: -111.413 bonds (distance) P-C4' energy: -90.819 flat angles C4'-P-C4' energy: -93.854 flat angles P-C4'-P energy: -74.433 tors. eta vs tors. theta energy: -36.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2645.875583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.875583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.875583 (E_RNA) where: Base-Base interactions energy: -1869.249 where: short stacking energy: -757.888 Base-Backbone interact. energy: -1.257 local terms energy: -775.369889 where: bonds (distance) C4'-P energy: -132.345 bonds (distance) P-C4' energy: -139.895 flat angles C4'-P-C4' energy: -157.069 flat angles P-C4'-P energy: -111.298 tors. eta vs tors. theta energy: -234.764 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: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2608.233608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.233608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.233608 (E_RNA) where: Base-Base interactions energy: -1876.354 where: short stacking energy: -747.687 Base-Backbone interact. energy: 1.352 local terms energy: -733.231407 where: bonds (distance) C4'-P energy: -123.692 bonds (distance) P-C4' energy: -140.045 flat angles C4'-P-C4' energy: -147.985 flat angles P-C4'-P energy: -89.944 tors. eta vs tors. theta energy: -231.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2518.507426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.507426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.507426 (E_RNA) where: Base-Base interactions energy: -1785.492 where: short stacking energy: -765.150 Base-Backbone interact. energy: -0.164 local terms energy: -732.851352 where: bonds (distance) C4'-P energy: -121.976 bonds (distance) P-C4' energy: -127.619 flat angles C4'-P-C4' energy: -162.977 flat angles P-C4'-P energy: -89.933 tors. eta vs tors. theta energy: -230.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2364.177159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.177159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.177159 (E_RNA) where: Base-Base interactions energy: -1678.512 where: short stacking energy: -679.837 Base-Backbone interact. energy: -0.120 local terms energy: -685.545222 where: bonds (distance) C4'-P energy: -123.377 bonds (distance) P-C4' energy: -133.408 flat angles C4'-P-C4' energy: -145.935 flat angles P-C4'-P energy: -82.169 tors. eta vs tors. theta energy: -200.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2315.466045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.466045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.466045 (E_RNA) where: Base-Base interactions energy: -1665.236 where: short stacking energy: -672.891 Base-Backbone interact. energy: -1.954 local terms energy: -648.276148 where: bonds (distance) C4'-P energy: -116.718 bonds (distance) P-C4' energy: -116.191 flat angles C4'-P-C4' energy: -137.639 flat angles P-C4'-P energy: -83.041 tors. eta vs tors. theta energy: -194.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2081.471699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.471699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.471699 (E_RNA) where: Base-Base interactions energy: -1479.568 where: short stacking energy: -600.953 Base-Backbone interact. energy: -3.125 local terms energy: -598.778655 where: bonds (distance) C4'-P energy: -110.894 bonds (distance) P-C4' energy: -103.692 flat angles C4'-P-C4' energy: -132.622 flat angles P-C4'-P energy: -78.156 tors. eta vs tors. theta energy: -173.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1934.826168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.826168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.826168 (E_RNA) where: Base-Base interactions energy: -1345.114 where: short stacking energy: -565.578 Base-Backbone interact. energy: 0.658 local terms energy: -590.370385 where: bonds (distance) C4'-P energy: -104.501 bonds (distance) P-C4' energy: -124.027 flat angles C4'-P-C4' energy: -135.828 flat angles P-C4'-P energy: -71.027 tors. eta vs tors. theta energy: -154.987 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: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1707.880617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.880617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.880617 (E_RNA) where: Base-Base interactions energy: -1129.268 where: short stacking energy: -502.704 Base-Backbone interact. energy: 1.110 local terms energy: -579.722758 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -115.954 flat angles C4'-P-C4' energy: -119.627 flat angles P-C4'-P energy: -78.011 tors. eta vs tors. theta energy: -143.124 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: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1412.444420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.444420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.444420 (E_RNA) where: Base-Base interactions energy: -945.776 where: short stacking energy: -432.966 Base-Backbone interact. energy: 3.767 local terms energy: -470.435097 where: bonds (distance) C4'-P energy: -106.893 bonds (distance) P-C4' energy: -98.218 flat angles C4'-P-C4' energy: -118.571 flat angles P-C4'-P energy: -66.549 tors. eta vs tors. theta energy: -80.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1076.648904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.648904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.648904 (E_RNA) where: Base-Base interactions energy: -661.605 where: short stacking energy: -281.636 Base-Backbone interact. energy: 1.367 local terms energy: -416.410846 where: bonds (distance) C4'-P energy: -111.394 bonds (distance) P-C4' energy: -97.355 flat angles C4'-P-C4' energy: -114.505 flat angles P-C4'-P energy: -58.872 tors. eta vs tors. theta energy: -34.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2634.156425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.156425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.156425 (E_RNA) where: Base-Base interactions energy: -1867.140 where: short stacking energy: -741.243 Base-Backbone interact. energy: 4.217 local terms energy: -771.233722 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -156.295 flat angles P-C4'-P energy: -106.184 tors. eta vs tors. theta energy: -234.830 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: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2572.784003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.784003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.784003 (E_RNA) where: Base-Base interactions energy: -1840.695 where: short stacking energy: -744.489 Base-Backbone interact. energy: -0.405 local terms energy: -731.683916 where: bonds (distance) C4'-P energy: -131.134 bonds (distance) P-C4' energy: -130.487 flat angles C4'-P-C4' energy: -151.499 flat angles P-C4'-P energy: -101.094 tors. eta vs tors. theta energy: -217.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2497.714690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.714690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.714690 (E_RNA) where: Base-Base interactions energy: -1788.813 where: short stacking energy: -727.794 Base-Backbone interact. energy: 0.213 local terms energy: -709.114842 where: bonds (distance) C4'-P energy: -111.981 bonds (distance) P-C4' energy: -113.557 flat angles C4'-P-C4' energy: -149.992 flat angles P-C4'-P energy: -111.010 tors. eta vs tors. theta energy: -222.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2368.948729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.948729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.948729 (E_RNA) where: Base-Base interactions energy: -1683.359 where: short stacking energy: -679.049 Base-Backbone interact. energy: -2.412 local terms energy: -683.178467 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -124.115 flat angles C4'-P-C4' energy: -147.882 flat angles P-C4'-P energy: -104.181 tors. eta vs tors. theta energy: -197.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2288.828457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.828457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.828457 (E_RNA) where: Base-Base interactions energy: -1621.637 where: short stacking energy: -666.714 Base-Backbone interact. energy: -0.565 local terms energy: -666.626111 where: bonds (distance) C4'-P energy: -121.357 bonds (distance) P-C4' energy: -107.426 flat angles C4'-P-C4' energy: -137.920 flat angles P-C4'-P energy: -105.728 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: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2082.738449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.738449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.738449 (E_RNA) where: Base-Base interactions energy: -1495.568 where: short stacking energy: -600.376 Base-Backbone interact. energy: 0.313 local terms energy: -587.483809 where: bonds (distance) C4'-P energy: -105.834 bonds (distance) P-C4' energy: -101.077 flat angles C4'-P-C4' energy: -131.793 flat angles P-C4'-P energy: -89.991 tors. eta vs tors. theta energy: -158.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1951.847872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.847872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.847872 (E_RNA) where: Base-Base interactions energy: -1398.092 where: short stacking energy: -590.873 Base-Backbone interact. energy: 0.755 local terms energy: -554.511309 where: bonds (distance) C4'-P energy: -105.393 bonds (distance) P-C4' energy: -97.339 flat angles C4'-P-C4' energy: -116.607 flat angles P-C4'-P energy: -77.983 tors. eta vs tors. theta energy: -157.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1751.213643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.213643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.213643 (E_RNA) where: Base-Base interactions energy: -1200.582 where: short stacking energy: -499.986 Base-Backbone interact. energy: 2.128 local terms energy: -552.759922 where: bonds (distance) C4'-P energy: -113.867 bonds (distance) P-C4' energy: -114.995 flat angles C4'-P-C4' energy: -125.033 flat angles P-C4'-P energy: -73.897 tors. eta vs tors. theta energy: -124.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1504.337450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.337450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.337450 (E_RNA) where: Base-Base interactions energy: -1018.183 where: short stacking energy: -453.562 Base-Backbone interact. energy: 3.500 local terms energy: -489.653650 where: bonds (distance) C4'-P energy: -99.084 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -113.607 flat angles P-C4'-P energy: -63.022 tors. eta vs tors. theta energy: -108.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1132.560094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.560094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.560094 (E_RNA) where: Base-Base interactions energy: -700.868 where: short stacking energy: -306.152 Base-Backbone interact. energy: -2.649 local terms energy: -429.042714 where: bonds (distance) C4'-P energy: -97.121 bonds (distance) P-C4' energy: -117.355 flat angles C4'-P-C4' energy: -107.220 flat angles P-C4'-P energy: -68.571 tors. eta vs tors. theta energy: -38.775 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: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2610.756898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.756898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.756898 (E_RNA) where: Base-Base interactions energy: -1863.801 where: short stacking energy: -765.666 Base-Backbone interact. energy: -1.439 local terms energy: -745.517466 where: bonds (distance) C4'-P energy: -120.635 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -163.674 flat angles P-C4'-P energy: -110.398 tors. eta vs tors. theta energy: -235.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2545.969150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.969150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.969150 (E_RNA) where: Base-Base interactions energy: -1804.384 where: short stacking energy: -744.053 Base-Backbone interact. energy: -1.602 local terms energy: -739.983706 where: bonds (distance) C4'-P energy: -117.630 bonds (distance) P-C4' energy: -137.754 flat angles C4'-P-C4' energy: -162.670 flat angles P-C4'-P energy: -99.041 tors. eta vs tors. theta energy: -222.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2542.609018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.609018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.609018 (E_RNA) where: Base-Base interactions energy: -1818.674 where: short stacking energy: -742.699 Base-Backbone interact. energy: -2.577 local terms energy: -721.357523 where: bonds (distance) C4'-P energy: -126.218 bonds (distance) P-C4' energy: -124.999 flat angles C4'-P-C4' energy: -145.264 flat angles P-C4'-P energy: -97.079 tors. eta vs tors. theta energy: -227.797 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: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2336.510430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.510430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.510430 (E_RNA) where: Base-Base interactions energy: -1657.724 where: short stacking energy: -692.407 Base-Backbone interact. energy: 1.706 local terms energy: -680.492667 where: bonds (distance) C4'-P energy: -115.637 bonds (distance) P-C4' energy: -130.097 flat angles C4'-P-C4' energy: -135.738 flat angles P-C4'-P energy: -100.371 tors. eta vs tors. theta energy: -198.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2277.557101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.557101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.557101 (E_RNA) where: Base-Base interactions energy: -1615.177 where: short stacking energy: -674.559 Base-Backbone interact. energy: 1.670 local terms energy: -664.050135 where: bonds (distance) C4'-P energy: -108.123 bonds (distance) P-C4' energy: -126.995 flat angles C4'-P-C4' energy: -145.500 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -187.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2093.568901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.568901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.568901 (E_RNA) where: Base-Base interactions energy: -1465.080 where: short stacking energy: -604.208 Base-Backbone interact. energy: -3.308 local terms energy: -625.179940 where: bonds (distance) C4'-P energy: -104.408 bonds (distance) P-C4' energy: -116.035 flat angles C4'-P-C4' energy: -128.019 flat angles P-C4'-P energy: -99.043 tors. eta vs tors. theta energy: -177.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2003.934014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.934014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.934014 (E_RNA) where: Base-Base interactions energy: -1399.572 where: short stacking energy: -559.566 Base-Backbone interact. energy: -0.349 local terms energy: -604.012879 where: bonds (distance) C4'-P energy: -125.946 bonds (distance) P-C4' energy: -105.017 flat angles C4'-P-C4' energy: -129.565 flat angles P-C4'-P energy: -82.255 tors. eta vs tors. theta energy: -161.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1732.908088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.908088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.908088 (E_RNA) where: Base-Base interactions energy: -1197.265 where: short stacking energy: -518.079 Base-Backbone interact. energy: -0.865 local terms energy: -534.778595 where: bonds (distance) C4'-P energy: -113.759 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -123.446 flat angles P-C4'-P energy: -78.223 tors. eta vs tors. theta energy: -120.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1449.780100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.780100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.780100 (E_RNA) where: Base-Base interactions energy: -955.410 where: short stacking energy: -417.911 Base-Backbone interact. energy: 0.869 local terms energy: -495.239186 where: bonds (distance) C4'-P energy: -103.319 bonds (distance) P-C4' energy: -109.188 flat angles C4'-P-C4' energy: -121.394 flat angles P-C4'-P energy: -67.328 tors. eta vs tors. theta energy: -94.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1157.906825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.906825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.906825 (E_RNA) where: Base-Base interactions energy: -755.356 where: short stacking energy: -328.575 Base-Backbone interact. energy: 0.551 local terms energy: -403.101598 where: bonds (distance) C4'-P energy: -101.163 bonds (distance) P-C4' energy: -97.073 flat angles C4'-P-C4' energy: -69.101 flat angles P-C4'-P energy: -75.507 tors. eta vs tors. theta energy: -60.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2586.406438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.406438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.406438 (E_RNA) where: Base-Base interactions energy: -1804.354 where: short stacking energy: -751.476 Base-Backbone interact. energy: -1.568 local terms energy: -780.484748 where: bonds (distance) C4'-P energy: -141.084 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -164.328 flat angles P-C4'-P energy: -106.504 tors. eta vs tors. theta energy: -225.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2570.040035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.040035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.040035 (E_RNA) where: Base-Base interactions energy: -1838.216 where: short stacking energy: -719.835 Base-Backbone interact. energy: -2.072 local terms energy: -729.752595 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -118.809 flat angles C4'-P-C4' energy: -159.577 flat angles P-C4'-P energy: -107.237 tors. eta vs tors. theta energy: -219.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2528.059588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.059588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.059588 (E_RNA) where: Base-Base interactions energy: -1800.329 where: short stacking energy: -732.768 Base-Backbone interact. energy: -1.428 local terms energy: -726.301748 where: bonds (distance) C4'-P energy: -133.310 bonds (distance) P-C4' energy: -112.618 flat angles C4'-P-C4' energy: -155.174 flat angles P-C4'-P energy: -102.191 tors. eta vs tors. theta energy: -223.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2334.058082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.058082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.058082 (E_RNA) where: Base-Base interactions energy: -1666.030 where: short stacking energy: -668.249 Base-Backbone interact. energy: -2.684 local terms energy: -665.344162 where: bonds (distance) C4'-P energy: -100.619 bonds (distance) P-C4' energy: -110.922 flat angles C4'-P-C4' energy: -149.333 flat angles P-C4'-P energy: -101.396 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: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2317.949662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.949662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.949662 (E_RNA) where: Base-Base interactions energy: -1661.742 where: short stacking energy: -661.333 Base-Backbone interact. energy: 2.102 local terms energy: -658.309955 where: bonds (distance) C4'-P energy: -108.801 bonds (distance) P-C4' energy: -127.288 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -102.311 tors. eta vs tors. theta energy: -181.522 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: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2066.089727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.089727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.089727 (E_RNA) where: Base-Base interactions energy: -1480.393 where: short stacking energy: -593.847 Base-Backbone interact. energy: -0.839 local terms energy: -584.857786 where: bonds (distance) C4'-P energy: -113.839 bonds (distance) P-C4' energy: -117.320 flat angles C4'-P-C4' energy: -124.745 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -162.984 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: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2025.775892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.775892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.775892 (E_RNA) where: Base-Base interactions energy: -1412.019 where: short stacking energy: -583.189 Base-Backbone interact. energy: 1.203 local terms energy: -614.960097 where: bonds (distance) C4'-P energy: -120.842 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -126.913 flat angles P-C4'-P energy: -78.998 tors. eta vs tors. theta energy: -168.312 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: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1696.373583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.373583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.373583 (E_RNA) where: Base-Base interactions energy: -1186.442 where: short stacking energy: -481.872 Base-Backbone interact. energy: -2.836 local terms energy: -507.095459 where: bonds (distance) C4'-P energy: -101.665 bonds (distance) P-C4' energy: -106.205 flat angles C4'-P-C4' energy: -100.515 flat angles P-C4'-P energy: -80.289 tors. eta vs tors. theta energy: -118.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1463.141773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.141773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.141773 (E_RNA) where: Base-Base interactions energy: -941.253 where: short stacking energy: -415.549 Base-Backbone interact. energy: -1.967 local terms energy: -519.921583 where: bonds (distance) C4'-P energy: -104.825 bonds (distance) P-C4' energy: -127.393 flat angles C4'-P-C4' energy: -121.963 flat angles P-C4'-P energy: -76.137 tors. eta vs tors. theta energy: -89.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1156.271085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.271085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.271085 (E_RNA) where: Base-Base interactions energy: -728.761 where: short stacking energy: -316.757 Base-Backbone interact. energy: -0.721 local terms energy: -426.789639 where: bonds (distance) C4'-P energy: -94.451 bonds (distance) P-C4' energy: -121.504 flat angles C4'-P-C4' energy: -96.445 flat angles P-C4'-P energy: -67.100 tors. eta vs tors. theta energy: -47.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2625.414926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.414926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.414926 (E_RNA) where: Base-Base interactions energy: -1839.536 where: short stacking energy: -753.041 Base-Backbone interact. energy: -4.208 local terms energy: -781.670814 where: bonds (distance) C4'-P energy: -143.036 bonds (distance) P-C4' energy: -138.726 flat angles C4'-P-C4' energy: -162.026 flat angles P-C4'-P energy: -105.119 tors. eta vs tors. theta energy: -232.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2587.539844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.539844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.539844 (E_RNA) where: Base-Base interactions energy: -1832.553 where: short stacking energy: -726.668 Base-Backbone interact. energy: -0.782 local terms energy: -754.205359 where: bonds (distance) C4'-P energy: -136.656 bonds (distance) P-C4' energy: -134.932 flat angles C4'-P-C4' energy: -149.030 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -230.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2488.576206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.576206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.576206 (E_RNA) where: Base-Base interactions energy: -1773.350 where: short stacking energy: -726.146 Base-Backbone interact. energy: 4.581 local terms energy: -719.807099 where: bonds (distance) C4'-P energy: -111.027 bonds (distance) P-C4' energy: -134.650 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -104.052 tors. eta vs tors. theta energy: -226.448 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: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2383.014023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.014023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.014023 (E_RNA) where: Base-Base interactions energy: -1665.635 where: short stacking energy: -689.242 Base-Backbone interact. energy: 0.268 local terms energy: -717.647844 where: bonds (distance) C4'-P energy: -122.085 bonds (distance) P-C4' energy: -122.338 flat angles C4'-P-C4' energy: -161.496 flat angles P-C4'-P energy: -103.188 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: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2332.099543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.099543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.099543 (E_RNA) where: Base-Base interactions energy: -1695.138 where: short stacking energy: -678.296 Base-Backbone interact. energy: -0.485 local terms energy: -636.476545 where: bonds (distance) C4'-P energy: -111.730 bonds (distance) P-C4' energy: -109.734 flat angles C4'-P-C4' energy: -137.732 flat angles P-C4'-P energy: -78.832 tors. eta vs tors. theta energy: -198.448 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: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2054.353883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.353883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.353883 (E_RNA) where: Base-Base interactions energy: -1438.673 where: short stacking energy: -606.512 Base-Backbone interact. energy: -1.508 local terms energy: -614.172693 where: bonds (distance) C4'-P energy: -102.626 bonds (distance) P-C4' energy: -113.566 flat angles C4'-P-C4' energy: -145.187 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -179.459 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: 5 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1965.386943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.386943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.386943 (E_RNA) where: Base-Base interactions energy: -1362.956 where: short stacking energy: -571.634 Base-Backbone interact. energy: 7.825 local terms energy: -610.256129 where: bonds (distance) C4'-P energy: -110.881 bonds (distance) P-C4' energy: -130.399 flat angles C4'-P-C4' energy: -119.442 flat angles P-C4'-P energy: -93.288 tors. eta vs tors. theta energy: -156.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1557.341314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.341314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.341314 (E_RNA) where: Base-Base interactions energy: -1054.896 where: short stacking energy: -456.577 Base-Backbone interact. energy: -3.497 local terms energy: -498.948515 where: bonds (distance) C4'-P energy: -114.900 bonds (distance) P-C4' energy: -99.104 flat angles C4'-P-C4' energy: -109.489 flat angles P-C4'-P energy: -70.809 tors. eta vs tors. theta energy: -104.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1467.714929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.714929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.714929 (E_RNA) where: Base-Base interactions energy: -992.978 where: short stacking energy: -436.842 Base-Backbone interact. energy: -1.698 local terms energy: -473.038729 where: bonds (distance) C4'-P energy: -97.886 bonds (distance) P-C4' energy: -134.482 flat angles C4'-P-C4' energy: -107.065 flat angles P-C4'-P energy: -36.557 tors. eta vs tors. theta energy: -97.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1134.194828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.194828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.194828 (E_RNA) where: Base-Base interactions energy: -718.668 where: short stacking energy: -319.755 Base-Backbone interact. energy: 1.104 local terms energy: -416.630729 where: bonds (distance) C4'-P energy: -91.177 bonds (distance) P-C4' energy: -104.281 flat angles C4'-P-C4' energy: -109.785 flat angles P-C4'-P energy: -74.438 tors. eta vs tors. theta energy: -36.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2635.958545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.958545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.958545 (E_RNA) where: Base-Base interactions energy: -1883.989 where: short stacking energy: -760.877 Base-Backbone interact. energy: -3.702 local terms energy: -748.267423 where: bonds (distance) C4'-P energy: -130.291 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -161.712 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -232.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2572.450490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.450490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.450490 (E_RNA) where: Base-Base interactions energy: -1822.482 where: short stacking energy: -746.220 Base-Backbone interact. energy: -1.331 local terms energy: -748.637776 where: bonds (distance) C4'-P energy: -126.206 bonds (distance) P-C4' energy: -132.454 flat angles C4'-P-C4' energy: -151.996 flat angles P-C4'-P energy: -116.239 tors. eta vs tors. theta energy: -221.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2498.657247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.657247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.657247 (E_RNA) where: Base-Base interactions energy: -1762.511 where: short stacking energy: -739.208 Base-Backbone interact. energy: -1.474 local terms energy: -734.673193 where: bonds (distance) C4'-P energy: -130.502 bonds (distance) P-C4' energy: -126.221 flat angles C4'-P-C4' energy: -148.252 flat angles P-C4'-P energy: -104.007 tors. eta vs tors. theta energy: -225.692 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: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2336.043855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.043855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.043855 (E_RNA) where: Base-Base interactions energy: -1644.032 where: short stacking energy: -679.314 Base-Backbone interact. energy: -3.018 local terms energy: -688.993863 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -121.924 flat angles C4'-P-C4' energy: -141.295 flat angles P-C4'-P energy: -86.767 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: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2277.980537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.980537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.980537 (E_RNA) where: Base-Base interactions energy: -1655.312 where: short stacking energy: -663.916 Base-Backbone interact. energy: 1.570 local terms energy: -624.238344 where: bonds (distance) C4'-P energy: -105.651 bonds (distance) P-C4' energy: -116.954 flat angles C4'-P-C4' energy: -136.353 flat angles P-C4'-P energy: -83.620 tors. eta vs tors. theta energy: -181.660 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: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2109.714912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.714912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.714912 (E_RNA) where: Base-Base interactions energy: -1479.453 where: short stacking energy: -617.421 Base-Backbone interact. energy: -2.273 local terms energy: -627.988820 where: bonds (distance) C4'-P energy: -117.346 bonds (distance) P-C4' energy: -119.810 flat angles C4'-P-C4' energy: -128.270 flat angles P-C4'-P energy: -89.626 tors. eta vs tors. theta energy: -172.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1900.387764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.387764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.387764 (E_RNA) where: Base-Base interactions energy: -1335.677 where: short stacking energy: -570.188 Base-Backbone interact. energy: -3.098 local terms energy: -561.612911 where: bonds (distance) C4'-P energy: -96.711 bonds (distance) P-C4' energy: -100.790 flat angles C4'-P-C4' energy: -131.689 flat angles P-C4'-P energy: -80.990 tors. eta vs tors. theta energy: -151.432 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: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1585.252615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.252615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.252615 (E_RNA) where: Base-Base interactions energy: -1066.838 where: short stacking energy: -450.755 Base-Backbone interact. energy: 4.818 local terms energy: -523.232429 where: bonds (distance) C4'-P energy: -131.589 bonds (distance) P-C4' energy: -115.419 flat angles C4'-P-C4' energy: -106.637 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -107.390 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: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1476.235389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.235389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.235389 (E_RNA) where: Base-Base interactions energy: -981.207 where: short stacking energy: -447.619 Base-Backbone interact. energy: -0.971 local terms energy: -494.057707 where: bonds (distance) C4'-P energy: -85.199 bonds (distance) P-C4' energy: -107.458 flat angles C4'-P-C4' energy: -121.504 flat angles P-C4'-P energy: -81.670 tors. eta vs tors. theta energy: -98.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1082.695429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.695429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.695429 (E_RNA) where: Base-Base interactions energy: -688.919 where: short stacking energy: -326.310 Base-Backbone interact. energy: -0.987 local terms energy: -392.788990 where: bonds (distance) C4'-P energy: -96.311 bonds (distance) P-C4' energy: -91.026 flat angles C4'-P-C4' energy: -96.990 flat angles P-C4'-P energy: -71.806 tors. eta vs tors. theta energy: -36.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2661.395994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.395994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.395994 (E_RNA) where: Base-Base interactions energy: -1880.661 where: short stacking energy: -768.294 Base-Backbone interact. energy: -0.408 local terms energy: -780.327227 where: bonds (distance) C4'-P energy: -139.468 bonds (distance) P-C4' energy: -137.733 flat angles C4'-P-C4' energy: -161.102 flat angles P-C4'-P energy: -109.348 tors. eta vs tors. theta energy: -232.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2597.333236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.333236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.333236 (E_RNA) where: Base-Base interactions energy: -1844.690 where: short stacking energy: -778.373 Base-Backbone interact. energy: -1.655 local terms energy: -750.988361 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -129.220 flat angles C4'-P-C4' energy: -156.055 flat angles P-C4'-P energy: -107.710 tors. eta vs tors. theta energy: -236.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2512.508549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.508549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.508549 (E_RNA) where: Base-Base interactions energy: -1800.556 where: short stacking energy: -698.519 Base-Backbone interact. energy: -1.242 local terms energy: -710.710227 where: bonds (distance) C4'-P energy: -114.584 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -147.032 flat angles P-C4'-P energy: -95.233 tors. eta vs tors. theta energy: -214.235 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: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2331.713114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.713114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.713114 (E_RNA) where: Base-Base interactions energy: -1655.013 where: short stacking energy: -682.427 Base-Backbone interact. energy: -1.510 local terms energy: -675.189668 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -122.529 flat angles C4'-P-C4' energy: -153.340 flat angles P-C4'-P energy: -98.865 tors. eta vs tors. theta energy: -206.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2338.808525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.808525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.808525 (E_RNA) where: Base-Base interactions energy: -1665.945 where: short stacking energy: -673.955 Base-Backbone interact. energy: -1.620 local terms energy: -671.243103 where: bonds (distance) C4'-P energy: -113.595 bonds (distance) P-C4' energy: -109.020 flat angles C4'-P-C4' energy: -147.082 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -198.516 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: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2115.108735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.108735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.108735 (E_RNA) where: Base-Base interactions energy: -1497.004 where: short stacking energy: -639.310 Base-Backbone interact. energy: -1.176 local terms energy: -616.928807 where: bonds (distance) C4'-P energy: -102.586 bonds (distance) P-C4' energy: -112.213 flat angles C4'-P-C4' energy: -142.636 flat angles P-C4'-P energy: -81.489 tors. eta vs tors. theta energy: -178.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1822.429983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.429983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.429983 (E_RNA) where: Base-Base interactions energy: -1231.338 where: short stacking energy: -508.613 Base-Backbone interact. energy: -1.865 local terms energy: -589.227254 where: bonds (distance) C4'-P energy: -127.864 bonds (distance) P-C4' energy: -114.811 flat angles C4'-P-C4' energy: -133.554 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -141.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1589.385006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.385006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.385006 (E_RNA) where: Base-Base interactions energy: -1047.228 where: short stacking energy: -463.414 Base-Backbone interact. energy: -2.304 local terms energy: -539.852572 where: bonds (distance) C4'-P energy: -102.242 bonds (distance) P-C4' energy: -114.527 flat angles C4'-P-C4' energy: -125.181 flat angles P-C4'-P energy: -78.229 tors. eta vs tors. theta energy: -119.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1510.775297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.775297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.775297 (E_RNA) where: Base-Base interactions energy: -1028.259 where: short stacking energy: -443.847 Base-Backbone interact. energy: 11.333 local terms energy: -493.848689 where: bonds (distance) C4'-P energy: -99.937 bonds (distance) P-C4' energy: -100.909 flat angles C4'-P-C4' energy: -130.094 flat angles P-C4'-P energy: -66.976 tors. eta vs tors. theta energy: -95.933 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: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1197.042192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.042192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.042192 (E_RNA) where: Base-Base interactions energy: -789.444 where: short stacking energy: -359.897 Base-Backbone interact. energy: -0.273 local terms energy: -407.325895 where: bonds (distance) C4'-P energy: -83.592 bonds (distance) P-C4' energy: -127.140 flat angles C4'-P-C4' energy: -97.130 flat angles P-C4'-P energy: -42.982 tors. eta vs tors. theta energy: -56.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2614.590524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.590524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.590524 (E_RNA) where: Base-Base interactions energy: -1853.450 where: short stacking energy: -745.296 Base-Backbone interact. energy: -0.379 local terms energy: -760.761569 where: bonds (distance) C4'-P energy: -126.441 bonds (distance) P-C4' energy: -138.211 flat angles C4'-P-C4' energy: -161.649 flat angles P-C4'-P energy: -107.098 tors. eta vs tors. theta energy: -227.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2567.027908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.027908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.027908 (E_RNA) where: Base-Base interactions energy: -1808.479 where: short stacking energy: -747.714 Base-Backbone interact. energy: -1.397 local terms energy: -757.151439 where: bonds (distance) C4'-P energy: -140.269 bonds (distance) P-C4' energy: -132.368 flat angles C4'-P-C4' energy: -155.807 flat angles P-C4'-P energy: -101.057 tors. eta vs tors. theta energy: -227.650 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: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2527.490349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.490349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.490349 (E_RNA) where: Base-Base interactions energy: -1786.378 where: short stacking energy: -716.054 Base-Backbone interact. energy: -2.763 local terms energy: -738.349537 where: bonds (distance) C4'-P energy: -133.171 bonds (distance) P-C4' energy: -124.531 flat angles C4'-P-C4' energy: -156.515 flat angles P-C4'-P energy: -109.287 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: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2279.151621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.151621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.151621 (E_RNA) where: Base-Base interactions energy: -1574.971 where: short stacking energy: -645.002 Base-Backbone interact. energy: -2.092 local terms energy: -702.087672 where: bonds (distance) C4'-P energy: -124.537 bonds (distance) P-C4' energy: -138.015 flat angles C4'-P-C4' energy: -141.268 flat angles P-C4'-P energy: -109.517 tors. eta vs tors. theta energy: -188.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2345.269713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.269713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.269713 (E_RNA) where: Base-Base interactions energy: -1661.512 where: short stacking energy: -678.806 Base-Backbone interact. energy: 6.691 local terms energy: -690.448926 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -107.264 flat angles C4'-P-C4' energy: -155.315 flat angles P-C4'-P energy: -95.368 tors. eta vs tors. theta energy: -199.608 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: 120 Temperature: 1.150000 Total energy: -2142.559970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.559970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.559970 (E_RNA) where: Base-Base interactions energy: -1535.834 where: short stacking energy: -638.885 Base-Backbone interact. energy: 0.293 local terms energy: -607.018297 where: bonds (distance) C4'-P energy: -107.592 bonds (distance) P-C4' energy: -96.571 flat angles C4'-P-C4' energy: -126.957 flat angles P-C4'-P energy: -90.689 tors. eta vs tors. theta energy: -185.209 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: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1755.219330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.219330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.219330 (E_RNA) where: Base-Base interactions energy: -1178.969 where: short stacking energy: -499.426 Base-Backbone interact. energy: -1.984 local terms energy: -574.266360 where: bonds (distance) C4'-P energy: -112.207 bonds (distance) P-C4' energy: -114.290 flat angles C4'-P-C4' energy: -134.707 flat angles P-C4'-P energy: -81.869 tors. eta vs tors. theta energy: -131.195 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: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1604.288108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.288108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.288108 (E_RNA) where: Base-Base interactions energy: -1077.035 where: short stacking energy: -462.643 Base-Backbone interact. energy: -0.150 local terms energy: -527.103522 where: bonds (distance) C4'-P energy: -113.939 bonds (distance) P-C4' energy: -95.752 flat angles C4'-P-C4' energy: -127.431 flat angles P-C4'-P energy: -79.600 tors. eta vs tors. theta energy: -110.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1465.484367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.484367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.484367 (E_RNA) where: Base-Base interactions energy: -992.444 where: short stacking energy: -430.542 Base-Backbone interact. energy: -2.474 local terms energy: -470.566284 where: bonds (distance) C4'-P energy: -83.882 bonds (distance) P-C4' energy: -103.303 flat angles C4'-P-C4' energy: -117.043 flat angles P-C4'-P energy: -64.293 tors. eta vs tors. theta energy: -102.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1244.384429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.384429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.384429 (E_RNA) where: Base-Base interactions energy: -805.606 where: short stacking energy: -345.794 Base-Backbone interact. energy: -1.780 local terms energy: -436.998539 where: bonds (distance) C4'-P energy: -102.317 bonds (distance) P-C4' energy: -103.433 flat angles C4'-P-C4' energy: -108.955 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -65.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2605.618072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.618072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.618072 (E_RNA) where: Base-Base interactions energy: -1849.141 where: short stacking energy: -763.118 Base-Backbone interact. energy: -2.379 local terms energy: -754.097976 where: bonds (distance) C4'-P energy: -135.250 bonds (distance) P-C4' energy: -124.847 flat angles C4'-P-C4' energy: -157.847 flat angles P-C4'-P energy: -112.224 tors. eta vs tors. theta energy: -223.930 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: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2555.982798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.982798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.982798 (E_RNA) where: Base-Base interactions energy: -1784.861 where: short stacking energy: -745.702 Base-Backbone interact. energy: -1.646 local terms energy: -769.475256 where: bonds (distance) C4'-P energy: -135.307 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -162.616 flat angles P-C4'-P energy: -112.899 tors. eta vs tors. theta energy: -225.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2530.210524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.210524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.210524 (E_RNA) where: Base-Base interactions energy: -1838.812 where: short stacking energy: -723.647 Base-Backbone interact. energy: -1.848 local terms energy: -689.550623 where: bonds (distance) C4'-P energy: -121.474 bonds (distance) P-C4' energy: -105.973 flat angles C4'-P-C4' energy: -149.026 flat angles P-C4'-P energy: -100.689 tors. eta vs tors. theta energy: -212.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2430.116040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.116040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.116040 (E_RNA) where: Base-Base interactions energy: -1702.258 where: short stacking energy: -687.012 Base-Backbone interact. energy: -4.370 local terms energy: -723.487341 where: bonds (distance) C4'-P energy: -127.633 bonds (distance) P-C4' energy: -130.889 flat angles C4'-P-C4' energy: -159.425 flat angles P-C4'-P energy: -99.992 tors. eta vs tors. theta energy: -205.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2236.320377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.320377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.320377 (E_RNA) where: Base-Base interactions energy: -1573.943 where: short stacking energy: -640.533 Base-Backbone interact. energy: 0.249 local terms energy: -662.626891 where: bonds (distance) C4'-P energy: -121.831 bonds (distance) P-C4' energy: -125.259 flat angles C4'-P-C4' energy: -135.813 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: -179.537 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: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2183.880083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.880083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.880083 (E_RNA) where: Base-Base interactions energy: -1539.595 where: short stacking energy: -634.561 Base-Backbone interact. energy: -0.515 local terms energy: -643.770111 where: bonds (distance) C4'-P energy: -89.667 bonds (distance) P-C4' energy: -119.613 flat angles C4'-P-C4' energy: -144.802 flat angles P-C4'-P energy: -96.968 tors. eta vs tors. theta energy: -192.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1705.883953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.883953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.883953 (E_RNA) where: Base-Base interactions energy: -1149.525 where: short stacking energy: -481.245 Base-Backbone interact. energy: -2.247 local terms energy: -554.112356 where: bonds (distance) C4'-P energy: -110.500 bonds (distance) P-C4' energy: -120.258 flat angles C4'-P-C4' energy: -120.949 flat angles P-C4'-P energy: -78.124 tors. eta vs tors. theta energy: -124.282 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: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1544.512440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.512440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.512440 (E_RNA) where: Base-Base interactions energy: -1061.088 where: short stacking energy: -448.282 Base-Backbone interact. energy: 0.214 local terms energy: -483.639129 where: bonds (distance) C4'-P energy: -90.714 bonds (distance) P-C4' energy: -107.695 flat angles C4'-P-C4' energy: -118.096 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -99.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1555.705966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.705966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.705966 (E_RNA) where: Base-Base interactions energy: -1012.346 where: short stacking energy: -460.421 Base-Backbone interact. energy: 0.976 local terms energy: -544.336189 where: bonds (distance) C4'-P energy: -105.468 bonds (distance) P-C4' energy: -105.335 flat angles C4'-P-C4' energy: -142.888 flat angles P-C4'-P energy: -72.547 tors. eta vs tors. theta energy: -118.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1219.822195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.822195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.822195 (E_RNA) where: Base-Base interactions energy: -755.982 where: short stacking energy: -336.016 Base-Backbone interact. energy: -1.457 local terms energy: -462.383540 where: bonds (distance) C4'-P energy: -102.582 bonds (distance) P-C4' energy: -113.627 flat angles C4'-P-C4' energy: -108.316 flat angles P-C4'-P energy: -66.381 tors. eta vs tors. theta energy: -71.478 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: 122 Temperature: 0.900000 Total energy: -2616.290340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.290340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.290340 (E_RNA) where: Base-Base interactions energy: -1848.110 where: short stacking energy: -754.507 Base-Backbone interact. energy: -0.660 local terms energy: -767.520622 where: bonds (distance) C4'-P energy: -126.580 bonds (distance) P-C4' energy: -136.559 flat angles C4'-P-C4' energy: -162.665 flat angles P-C4'-P energy: -116.547 tors. eta vs tors. theta energy: -225.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2546.173982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.173982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.173982 (E_RNA) where: Base-Base interactions energy: -1795.266 where: short stacking energy: -742.365 Base-Backbone interact. energy: -1.304 local terms energy: -749.604295 where: bonds (distance) C4'-P energy: -120.647 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -161.281 flat angles P-C4'-P energy: -114.525 tors. eta vs tors. theta energy: -224.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2529.200848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.200848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.200848 (E_RNA) where: Base-Base interactions energy: -1791.190 where: short stacking energy: -713.432 Base-Backbone interact. energy: -2.958 local terms energy: -735.052493 where: bonds (distance) C4'-P energy: -116.831 bonds (distance) P-C4' energy: -131.602 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -108.249 tors. eta vs tors. theta energy: -220.321 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: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2386.011011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.011011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.011011 (E_RNA) where: Base-Base interactions energy: -1704.604 where: short stacking energy: -693.940 Base-Backbone interact. energy: -0.909 local terms energy: -680.498213 where: bonds (distance) C4'-P energy: -111.516 bonds (distance) P-C4' energy: -119.689 flat angles C4'-P-C4' energy: -147.477 flat angles P-C4'-P energy: -104.297 tors. eta vs tors. theta energy: -197.520 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: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2257.271014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.271014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.271014 (E_RNA) where: Base-Base interactions energy: -1584.470 where: short stacking energy: -659.250 Base-Backbone interact. energy: 3.197 local terms energy: -675.998663 where: bonds (distance) C4'-P energy: -121.251 bonds (distance) P-C4' energy: -115.454 flat angles C4'-P-C4' energy: -146.988 flat angles P-C4'-P energy: -93.875 tors. eta vs tors. theta energy: -198.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2197.767536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.767536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.767536 (E_RNA) where: Base-Base interactions energy: -1537.964 where: short stacking energy: -650.262 Base-Backbone interact. energy: -0.836 local terms energy: -658.966641 where: bonds (distance) C4'-P energy: -106.747 bonds (distance) P-C4' energy: -128.588 flat angles C4'-P-C4' energy: -144.411 flat angles P-C4'-P energy: -94.756 tors. eta vs tors. theta energy: -184.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1747.236799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.236799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.236799 (E_RNA) where: Base-Base interactions energy: -1215.359 where: short stacking energy: -493.223 Base-Backbone interact. energy: 0.743 local terms energy: -532.620159 where: bonds (distance) C4'-P energy: -107.647 bonds (distance) P-C4' energy: -121.286 flat angles C4'-P-C4' energy: -120.213 flat angles P-C4'-P energy: -67.112 tors. eta vs tors. theta energy: -116.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1595.151382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.151382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.151382 (E_RNA) where: Base-Base interactions energy: -1093.286 where: short stacking energy: -459.694 Base-Backbone interact. energy: -0.069 local terms energy: -501.796003 where: bonds (distance) C4'-P energy: -108.017 bonds (distance) P-C4' energy: -105.792 flat angles C4'-P-C4' energy: -113.323 flat angles P-C4'-P energy: -73.238 tors. eta vs tors. theta energy: -101.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1566.652061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.652061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.652061 (E_RNA) where: Base-Base interactions energy: -1055.748 where: short stacking energy: -421.608 Base-Backbone interact. energy: 2.241 local terms energy: -513.145441 where: bonds (distance) C4'-P energy: -120.191 bonds (distance) P-C4' energy: -99.227 flat angles C4'-P-C4' energy: -116.383 flat angles P-C4'-P energy: -67.791 tors. eta vs tors. theta energy: -109.554 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: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1193.748410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.748410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.748410 (E_RNA) where: Base-Base interactions energy: -772.815 where: short stacking energy: -346.116 Base-Backbone interact. energy: 0.166 local terms energy: -421.099227 where: bonds (distance) C4'-P energy: -98.972 bonds (distance) P-C4' energy: -90.126 flat angles C4'-P-C4' energy: -111.787 flat angles P-C4'-P energy: -49.331 tors. eta vs tors. theta energy: -70.883 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: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2590.185947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.185947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.185947 (E_RNA) where: Base-Base interactions energy: -1814.310 where: short stacking energy: -754.411 Base-Backbone interact. energy: -1.716 local terms energy: -774.159771 where: bonds (distance) C4'-P energy: -144.086 bonds (distance) P-C4' energy: -130.538 flat angles C4'-P-C4' energy: -162.553 flat angles P-C4'-P energy: -100.253 tors. eta vs tors. theta energy: -236.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2556.510209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.510209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.510209 (E_RNA) where: Base-Base interactions energy: -1809.650 where: short stacking energy: -746.219 Base-Backbone interact. energy: 2.117 local terms energy: -748.976940 where: bonds (distance) C4'-P energy: -122.437 bonds (distance) P-C4' energy: -129.941 flat angles C4'-P-C4' energy: -167.087 flat angles P-C4'-P energy: -107.367 tors. eta vs tors. theta energy: -222.145 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: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2518.853228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.853228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.853228 (E_RNA) where: Base-Base interactions energy: -1780.541 where: short stacking energy: -715.403 Base-Backbone interact. energy: 3.197 local terms energy: -741.509200 where: bonds (distance) C4'-P energy: -126.432 bonds (distance) P-C4' energy: -133.667 flat angles C4'-P-C4' energy: -154.328 flat angles P-C4'-P energy: -103.560 tors. eta vs tors. theta energy: -223.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2411.028715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.028715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.028715 (E_RNA) where: Base-Base interactions energy: -1695.615 where: short stacking energy: -693.762 Base-Backbone interact. energy: -0.806 local terms energy: -714.607576 where: bonds (distance) C4'-P energy: -116.365 bonds (distance) P-C4' energy: -121.578 flat angles C4'-P-C4' energy: -160.938 flat angles P-C4'-P energy: -97.128 tors. eta vs tors. theta energy: -218.599 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: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2202.032494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.032494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.032494 (E_RNA) where: Base-Base interactions energy: -1551.173 where: short stacking energy: -637.480 Base-Backbone interact. energy: 1.263 local terms energy: -652.122794 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -109.431 flat angles C4'-P-C4' energy: -149.327 flat angles P-C4'-P energy: -91.847 tors. eta vs tors. theta energy: -186.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2193.831722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.831722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.831722 (E_RNA) where: Base-Base interactions energy: -1545.722 where: short stacking energy: -641.161 Base-Backbone interact. energy: 3.983 local terms energy: -652.092565 where: bonds (distance) C4'-P energy: -98.186 bonds (distance) P-C4' energy: -134.264 flat angles C4'-P-C4' energy: -143.277 flat angles P-C4'-P energy: -80.347 tors. eta vs tors. theta energy: -196.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1786.730771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.730771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.730771 (E_RNA) where: Base-Base interactions energy: -1230.638 where: short stacking energy: -520.071 Base-Backbone interact. energy: 0.760 local terms energy: -556.852939 where: bonds (distance) C4'-P energy: -115.880 bonds (distance) P-C4' energy: -109.370 flat angles C4'-P-C4' energy: -125.070 flat angles P-C4'-P energy: -80.601 tors. eta vs tors. theta energy: -125.932 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1556.114243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.114243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.114243 (E_RNA) where: Base-Base interactions energy: -1020.659 where: short stacking energy: -450.019 Base-Backbone interact. energy: 0.039 local terms energy: -535.494658 where: bonds (distance) C4'-P energy: -105.912 bonds (distance) P-C4' energy: -128.089 flat angles C4'-P-C4' energy: -119.447 flat angles P-C4'-P energy: -67.669 tors. eta vs tors. theta energy: -114.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1496.681350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.681350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.681350 (E_RNA) where: Base-Base interactions energy: -1003.467 where: short stacking energy: -453.404 Base-Backbone interact. energy: 0.046 local terms energy: -493.259982 where: bonds (distance) C4'-P energy: -111.944 bonds (distance) P-C4' energy: -107.567 flat angles C4'-P-C4' energy: -97.466 flat angles P-C4'-P energy: -75.665 tors. eta vs tors. theta energy: -100.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1210.089260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.089260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.089260 (E_RNA) where: Base-Base interactions energy: -756.410 where: short stacking energy: -331.777 Base-Backbone interact. energy: -1.304 local terms energy: -452.375213 where: bonds (distance) C4'-P energy: -112.321 bonds (distance) P-C4' energy: -110.826 flat angles C4'-P-C4' energy: -116.552 flat angles P-C4'-P energy: -58.904 tors. eta vs tors. theta energy: -53.773 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: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2605.715551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.715551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.715551 (E_RNA) where: Base-Base interactions energy: -1847.000 where: short stacking energy: -752.225 Base-Backbone interact. energy: -0.955 local terms energy: -757.760479 where: bonds (distance) C4'-P energy: -130.487 bonds (distance) P-C4' energy: -130.496 flat angles C4'-P-C4' energy: -158.865 flat angles P-C4'-P energy: -104.830 tors. eta vs tors. theta energy: -233.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2567.706639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.706639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.706639 (E_RNA) where: Base-Base interactions energy: -1806.196 where: short stacking energy: -737.385 Base-Backbone interact. energy: -3.215 local terms energy: -758.296030 where: bonds (distance) C4'-P energy: -130.751 bonds (distance) P-C4' energy: -133.883 flat angles C4'-P-C4' energy: -160.304 flat angles P-C4'-P energy: -104.563 tors. eta vs tors. theta energy: -228.796 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: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2535.002103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.002103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.002103 (E_RNA) where: Base-Base interactions energy: -1808.722 where: short stacking energy: -710.786 Base-Backbone interact. energy: -1.539 local terms energy: -724.740256 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -130.738 flat angles C4'-P-C4' energy: -156.726 flat angles P-C4'-P energy: -111.625 tors. eta vs tors. theta energy: -217.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2418.582589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.582589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.582589 (E_RNA) where: Base-Base interactions energy: -1738.759 where: short stacking energy: -717.510 Base-Backbone interact. energy: 1.042 local terms energy: -680.865872 where: bonds (distance) C4'-P energy: -114.893 bonds (distance) P-C4' energy: -100.812 flat angles C4'-P-C4' energy: -156.446 flat angles P-C4'-P energy: -98.196 tors. eta vs tors. theta energy: -210.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2233.546067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.546067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.546067 (E_RNA) where: Base-Base interactions energy: -1564.083 where: short stacking energy: -664.838 Base-Backbone interact. energy: 1.304 local terms energy: -670.767827 where: bonds (distance) C4'-P energy: -109.029 bonds (distance) P-C4' energy: -129.534 flat angles C4'-P-C4' energy: -142.996 flat angles P-C4'-P energy: -91.246 tors. eta vs tors. theta energy: -197.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2181.252116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.252116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.252116 (E_RNA) where: Base-Base interactions energy: -1539.905 where: short stacking energy: -621.579 Base-Backbone interact. energy: -1.089 local terms energy: -640.257620 where: bonds (distance) C4'-P energy: -102.465 bonds (distance) P-C4' energy: -119.727 flat angles C4'-P-C4' energy: -147.946 flat angles P-C4'-P energy: -92.842 tors. eta vs tors. theta energy: -177.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1768.709845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.709845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.709845 (E_RNA) where: Base-Base interactions energy: -1234.163 where: short stacking energy: -511.353 Base-Backbone interact. energy: 2.650 local terms energy: -537.197334 where: bonds (distance) C4'-P energy: -98.435 bonds (distance) P-C4' energy: -121.362 flat angles C4'-P-C4' energy: -122.759 flat angles P-C4'-P energy: -79.972 tors. eta vs tors. theta energy: -114.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1574.094581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.094581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.094581 (E_RNA) where: Base-Base interactions energy: -1059.289 where: short stacking energy: -437.853 Base-Backbone interact. energy: -1.923 local terms energy: -512.882631 where: bonds (distance) C4'-P energy: -113.724 bonds (distance) P-C4' energy: -107.541 flat angles C4'-P-C4' energy: -117.305 flat angles P-C4'-P energy: -78.066 tors. eta vs tors. theta energy: -96.246 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: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1446.315912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.315912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.315912 (E_RNA) where: Base-Base interactions energy: -963.958 where: short stacking energy: -418.099 Base-Backbone interact. energy: 1.748 local terms energy: -484.106781 where: bonds (distance) C4'-P energy: -100.594 bonds (distance) P-C4' energy: -110.311 flat angles C4'-P-C4' energy: -105.346 flat angles P-C4'-P energy: -83.568 tors. eta vs tors. theta energy: -84.287 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: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1197.989410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.989410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.989410 (E_RNA) where: Base-Base interactions energy: -740.095 where: short stacking energy: -326.756 Base-Backbone interact. energy: 6.330 local terms energy: -464.224003 where: bonds (distance) C4'-P energy: -104.287 bonds (distance) P-C4' energy: -122.828 flat angles C4'-P-C4' energy: -108.350 flat angles P-C4'-P energy: -69.538 tors. eta vs tors. theta energy: -59.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2608.356907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.356907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.356907 (E_RNA) where: Base-Base interactions energy: -1847.627 where: short stacking energy: -733.377 Base-Backbone interact. energy: -1.838 local terms energy: -758.891992 where: bonds (distance) C4'-P energy: -141.188 bonds (distance) P-C4' energy: -127.330 flat angles C4'-P-C4' energy: -155.875 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -229.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2603.997456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.997456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.997456 (E_RNA) where: Base-Base interactions energy: -1848.508 where: short stacking energy: -772.818 Base-Backbone interact. energy: -0.452 local terms energy: -755.037606 where: bonds (distance) C4'-P energy: -126.362 bonds (distance) P-C4' energy: -132.409 flat angles C4'-P-C4' energy: -156.053 flat angles P-C4'-P energy: -111.822 tors. eta vs tors. theta energy: -228.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2520.410541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.410541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.410541 (E_RNA) where: Base-Base interactions energy: -1819.862 where: short stacking energy: -705.899 Base-Backbone interact. energy: -1.659 local terms energy: -698.888782 where: bonds (distance) C4'-P energy: -122.656 bonds (distance) P-C4' energy: -121.258 flat angles C4'-P-C4' energy: -147.681 flat angles P-C4'-P energy: -93.891 tors. eta vs tors. theta energy: -213.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2437.157934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.157934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.157934 (E_RNA) where: Base-Base interactions energy: -1729.978 where: short stacking energy: -726.020 Base-Backbone interact. energy: -1.391 local terms energy: -705.788662 where: bonds (distance) C4'-P energy: -119.544 bonds (distance) P-C4' energy: -120.904 flat angles C4'-P-C4' energy: -154.497 flat angles P-C4'-P energy: -94.195 tors. eta vs tors. theta energy: -216.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2246.745412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.745412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.745412 (E_RNA) where: Base-Base interactions energy: -1577.221 where: short stacking energy: -650.285 Base-Backbone interact. energy: -1.320 local terms energy: -668.204547 where: bonds (distance) C4'-P energy: -109.891 bonds (distance) P-C4' energy: -116.653 flat angles C4'-P-C4' energy: -141.475 flat angles P-C4'-P energy: -91.847 tors. eta vs tors. theta energy: -208.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2185.954821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.954821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.954821 (E_RNA) where: Base-Base interactions energy: -1551.485 where: short stacking energy: -646.490 Base-Backbone interact. energy: -0.995 local terms energy: -633.474397 where: bonds (distance) C4'-P energy: -110.336 bonds (distance) P-C4' energy: -116.587 flat angles C4'-P-C4' energy: -142.184 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: -190.444 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: 125 Temperature: 1.200000 Total energy: -1796.515850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.515850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.515850 (E_RNA) where: Base-Base interactions energy: -1250.987 where: short stacking energy: -540.915 Base-Backbone interact. energy: -2.792 local terms energy: -542.737040 where: bonds (distance) C4'-P energy: -99.753 bonds (distance) P-C4' energy: -120.943 flat angles C4'-P-C4' energy: -121.000 flat angles P-C4'-P energy: -73.459 tors. eta vs tors. theta energy: -127.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1574.926105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.926105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.926105 (E_RNA) where: Base-Base interactions energy: -1064.621 where: short stacking energy: -453.992 Base-Backbone interact. energy: 1.596 local terms energy: -511.900889 where: bonds (distance) C4'-P energy: -105.524 bonds (distance) P-C4' energy: -90.053 flat angles C4'-P-C4' energy: -123.290 flat angles P-C4'-P energy: -82.662 tors. eta vs tors. theta energy: -110.372 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: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1455.950108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.950108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.950108 (E_RNA) where: Base-Base interactions energy: -969.803 where: short stacking energy: -435.135 Base-Backbone interact. energy: -2.505 local terms energy: -483.642361 where: bonds (distance) C4'-P energy: -110.217 bonds (distance) P-C4' energy: -107.836 flat angles C4'-P-C4' energy: -107.821 flat angles P-C4'-P energy: -65.506 tors. eta vs tors. theta energy: -92.262 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: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1115.281596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.281596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.281596 (E_RNA) where: Base-Base interactions energy: -710.900 where: short stacking energy: -330.911 Base-Backbone interact. energy: 3.834 local terms energy: -408.214944 where: bonds (distance) C4'-P energy: -94.126 bonds (distance) P-C4' energy: -110.201 flat angles C4'-P-C4' energy: -112.630 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: -45.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2610.534058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.534058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.534058 (E_RNA) where: Base-Base interactions energy: -1848.987 where: short stacking energy: -764.964 Base-Backbone interact. energy: -1.973 local terms energy: -759.573556 where: bonds (distance) C4'-P energy: -129.355 bonds (distance) P-C4' energy: -135.404 flat angles C4'-P-C4' energy: -163.835 flat angles P-C4'-P energy: -104.545 tors. eta vs tors. theta energy: -226.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2568.174014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.174014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.174014 (E_RNA) where: Base-Base interactions energy: -1809.784 where: short stacking energy: -743.880 Base-Backbone interact. energy: -3.737 local terms energy: -754.653033 where: bonds (distance) C4'-P energy: -120.377 bonds (distance) P-C4' energy: -135.799 flat angles C4'-P-C4' energy: -156.053 flat angles P-C4'-P energy: -111.518 tors. eta vs tors. theta energy: -230.906 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: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2508.700519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.700519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.700519 (E_RNA) where: Base-Base interactions energy: -1771.798 where: short stacking energy: -717.221 Base-Backbone interact. energy: -2.877 local terms energy: -734.026115 where: bonds (distance) C4'-P energy: -132.825 bonds (distance) P-C4' energy: -121.554 flat angles C4'-P-C4' energy: -162.804 flat angles P-C4'-P energy: -101.665 tors. eta vs tors. theta energy: -215.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2441.676419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.676419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.676419 (E_RNA) where: Base-Base interactions energy: -1756.741 where: short stacking energy: -718.691 Base-Backbone interact. energy: -2.451 local terms energy: -682.485217 where: bonds (distance) C4'-P energy: -112.552 bonds (distance) P-C4' energy: -123.410 flat angles C4'-P-C4' energy: -139.159 flat angles P-C4'-P energy: -90.804 tors. eta vs tors. theta energy: -216.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2247.630973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.630973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.630973 (E_RNA) where: Base-Base interactions energy: -1595.829 where: short stacking energy: -666.247 Base-Backbone interact. energy: -1.209 local terms energy: -650.593105 where: bonds (distance) C4'-P energy: -104.140 bonds (distance) P-C4' energy: -103.927 flat angles C4'-P-C4' energy: -146.261 flat angles P-C4'-P energy: -105.906 tors. eta vs tors. theta energy: -190.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2174.441893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.441893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.441893 (E_RNA) where: Base-Base interactions energy: -1523.049 where: short stacking energy: -646.062 Base-Backbone interact. energy: 0.931 local terms energy: -652.324305 where: bonds (distance) C4'-P energy: -98.999 bonds (distance) P-C4' energy: -119.355 flat angles C4'-P-C4' energy: -151.519 flat angles P-C4'-P energy: -83.452 tors. eta vs tors. theta energy: -198.999 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: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1816.837163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.837163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.837163 (E_RNA) where: Base-Base interactions energy: -1239.822 where: short stacking energy: -502.522 Base-Backbone interact. energy: -4.067 local terms energy: -572.948149 where: bonds (distance) C4'-P energy: -122.875 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -121.245 flat angles P-C4'-P energy: -84.671 tors. eta vs tors. theta energy: -121.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1530.734850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.734850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.734850 (E_RNA) where: Base-Base interactions energy: -1005.183 where: short stacking energy: -472.890 Base-Backbone interact. energy: 0.600 local terms energy: -526.151291 where: bonds (distance) C4'-P energy: -131.307 bonds (distance) P-C4' energy: -93.386 flat angles C4'-P-C4' energy: -114.297 flat angles P-C4'-P energy: -79.721 tors. eta vs tors. theta energy: -107.441 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: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1503.252434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.252434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.252434 (E_RNA) where: Base-Base interactions energy: -1014.795 where: short stacking energy: -428.828 Base-Backbone interact. energy: 1.363 local terms energy: -489.820046 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -108.852 flat angles C4'-P-C4' energy: -121.675 flat angles P-C4'-P energy: -62.655 tors. eta vs tors. theta energy: -98.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1127.524357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.524357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.524357 (E_RNA) where: Base-Base interactions energy: -713.323 where: short stacking energy: -307.533 Base-Backbone interact. energy: 3.949 local terms energy: -418.150354 where: bonds (distance) C4'-P energy: -109.914 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -104.162 flat angles P-C4'-P energy: -59.065 tors. eta vs tors. theta energy: -46.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2625.947356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.947356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.947356 (E_RNA) where: Base-Base interactions energy: -1858.428 where: short stacking energy: -778.106 Base-Backbone interact. energy: -3.363 local terms energy: -764.155875 where: bonds (distance) C4'-P energy: -121.090 bonds (distance) P-C4' energy: -148.487 flat angles C4'-P-C4' energy: -156.647 flat angles P-C4'-P energy: -114.308 tors. eta vs tors. theta energy: -223.624 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: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2567.740105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.740105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.740105 (E_RNA) where: Base-Base interactions energy: -1814.211 where: short stacking energy: -742.106 Base-Backbone interact. energy: 0.908 local terms energy: -754.437072 where: bonds (distance) C4'-P energy: -131.033 bonds (distance) P-C4' energy: -146.270 flat angles C4'-P-C4' energy: -157.535 flat angles P-C4'-P energy: -98.513 tors. eta vs tors. theta energy: -221.087 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: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2516.664126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.664126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.664126 (E_RNA) where: Base-Base interactions energy: -1767.439 where: short stacking energy: -737.574 Base-Backbone interact. energy: -0.479 local terms energy: -748.746143 where: bonds (distance) C4'-P energy: -137.528 bonds (distance) P-C4' energy: -126.578 flat angles C4'-P-C4' energy: -149.567 flat angles P-C4'-P energy: -113.786 tors. eta vs tors. theta energy: -221.288 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: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2442.487254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.487254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.487254 (E_RNA) where: Base-Base interactions energy: -1750.832 where: short stacking energy: -706.237 Base-Backbone interact. energy: -2.605 local terms energy: -689.050018 where: bonds (distance) C4'-P energy: -131.791 bonds (distance) P-C4' energy: -102.528 flat angles C4'-P-C4' energy: -146.568 flat angles P-C4'-P energy: -98.201 tors. eta vs tors. theta energy: -209.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2267.158519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.158519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.158519 (E_RNA) where: Base-Base interactions energy: -1621.607 where: short stacking energy: -661.211 Base-Backbone interact. energy: -1.477 local terms energy: -644.074030 where: bonds (distance) C4'-P energy: -115.244 bonds (distance) P-C4' energy: -119.485 flat angles C4'-P-C4' energy: -143.678 flat angles P-C4'-P energy: -73.399 tors. eta vs tors. theta energy: -192.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2151.790640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.790640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.790640 (E_RNA) where: Base-Base interactions energy: -1495.474 where: short stacking energy: -620.247 Base-Backbone interact. energy: -2.002 local terms energy: -654.314562 where: bonds (distance) C4'-P energy: -114.664 bonds (distance) P-C4' energy: -130.535 flat angles C4'-P-C4' energy: -137.751 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -185.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1863.955960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.955960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.955960 (E_RNA) where: Base-Base interactions energy: -1295.987 where: short stacking energy: -548.913 Base-Backbone interact. energy: -2.780 local terms energy: -565.189710 where: bonds (distance) C4'-P energy: -102.086 bonds (distance) P-C4' energy: -117.789 flat angles C4'-P-C4' energy: -129.109 flat angles P-C4'-P energy: -75.718 tors. eta vs tors. theta energy: -140.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1630.097334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.097334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.097334 (E_RNA) where: Base-Base interactions energy: -1084.556 where: short stacking energy: -460.945 Base-Backbone interact. energy: -4.757 local terms energy: -540.783726 where: bonds (distance) C4'-P energy: -99.950 bonds (distance) P-C4' energy: -119.433 flat angles C4'-P-C4' energy: -118.792 flat angles P-C4'-P energy: -87.597 tors. eta vs tors. theta energy: -115.012 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1508.165049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.165049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.165049 (E_RNA) where: Base-Base interactions energy: -989.441 where: short stacking energy: -431.829 Base-Backbone interact. energy: 3.309 local terms energy: -522.032863 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -116.251 flat angles C4'-P-C4' energy: -104.008 flat angles P-C4'-P energy: -86.973 tors. eta vs tors. theta energy: -100.291 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: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1103.034301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.034301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.034301 (E_RNA) where: Base-Base interactions energy: -674.959 where: short stacking energy: -282.549 Base-Backbone interact. energy: -1.440 local terms energy: -426.635657 where: bonds (distance) C4'-P energy: -106.074 bonds (distance) P-C4' energy: -121.271 flat angles C4'-P-C4' energy: -105.274 flat angles P-C4'-P energy: -61.196 tors. eta vs tors. theta energy: -32.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2609.142899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.142899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.142899 (E_RNA) where: Base-Base interactions energy: -1847.048 where: short stacking energy: -764.270 Base-Backbone interact. energy: -0.128 local terms energy: -761.966934 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -134.346 flat angles C4'-P-C4' energy: -157.891 flat angles P-C4'-P energy: -109.220 tors. eta vs tors. theta energy: -226.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2571.347001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.347001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.347001 (E_RNA) where: Base-Base interactions energy: -1826.691 where: short stacking energy: -737.840 Base-Backbone interact. energy: -1.318 local terms energy: -743.337429 where: bonds (distance) C4'-P energy: -130.998 bonds (distance) P-C4' energy: -134.305 flat angles C4'-P-C4' energy: -153.347 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -229.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2522.156415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.156415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.156415 (E_RNA) where: Base-Base interactions energy: -1795.750 where: short stacking energy: -743.524 Base-Backbone interact. energy: -1.278 local terms energy: -725.127721 where: bonds (distance) C4'-P energy: -123.713 bonds (distance) P-C4' energy: -132.925 flat angles C4'-P-C4' energy: -147.201 flat angles P-C4'-P energy: -102.039 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: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2438.440473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.440473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.440473 (E_RNA) where: Base-Base interactions energy: -1751.737 where: short stacking energy: -718.287 Base-Backbone interact. energy: -0.847 local terms energy: -685.856879 where: bonds (distance) C4'-P energy: -100.793 bonds (distance) P-C4' energy: -121.153 flat angles C4'-P-C4' energy: -146.680 flat angles P-C4'-P energy: -103.215 tors. eta vs tors. theta energy: -214.015 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: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2288.903291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.903291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.903291 (E_RNA) where: Base-Base interactions energy: -1614.593 where: short stacking energy: -676.175 Base-Backbone interact. energy: -0.287 local terms energy: -674.023453 where: bonds (distance) C4'-P energy: -106.833 bonds (distance) P-C4' energy: -114.524 flat angles C4'-P-C4' energy: -155.915 flat angles P-C4'-P energy: -92.678 tors. eta vs tors. theta energy: -204.074 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: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2138.897851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.897851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.897851 (E_RNA) where: Base-Base interactions energy: -1509.098 where: short stacking energy: -627.000 Base-Backbone interact. energy: -1.469 local terms energy: -628.330779 where: bonds (distance) C4'-P energy: -106.441 bonds (distance) P-C4' energy: -121.154 flat angles C4'-P-C4' energy: -125.474 flat angles P-C4'-P energy: -89.348 tors. eta vs tors. theta energy: -185.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1788.958917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.958917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.958917 (E_RNA) where: Base-Base interactions energy: -1227.859 where: short stacking energy: -536.254 Base-Backbone interact. energy: -2.226 local terms energy: -558.874119 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -108.681 flat angles C4'-P-C4' energy: -119.714 flat angles P-C4'-P energy: -77.750 tors. eta vs tors. theta energy: -127.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1620.408250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.408250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.408250 (E_RNA) where: Base-Base interactions energy: -1071.653 where: short stacking energy: -460.309 Base-Backbone interact. energy: -2.850 local terms energy: -545.905257 where: bonds (distance) C4'-P energy: -121.877 bonds (distance) P-C4' energy: -120.812 flat angles C4'-P-C4' energy: -113.546 flat angles P-C4'-P energy: -84.257 tors. eta vs tors. theta energy: -105.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1486.105715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.105715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.105715 (E_RNA) where: Base-Base interactions energy: -1003.239 where: short stacking energy: -435.725 Base-Backbone interact. energy: -1.441 local terms energy: -481.425736 where: bonds (distance) C4'-P energy: -109.309 bonds (distance) P-C4' energy: -105.462 flat angles C4'-P-C4' energy: -108.832 flat angles P-C4'-P energy: -68.111 tors. eta vs tors. theta energy: -89.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1041.764296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.764296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.764296 (E_RNA) where: Base-Base interactions energy: -632.782 where: short stacking energy: -284.952 Base-Backbone interact. energy: -1.913 local terms energy: -407.069072 where: bonds (distance) C4'-P energy: -96.534 bonds (distance) P-C4' energy: -96.130 flat angles C4'-P-C4' energy: -109.710 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -44.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2609.824083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.824083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.824083 (E_RNA) where: Base-Base interactions energy: -1844.110 where: short stacking energy: -743.338 Base-Backbone interact. energy: -0.955 local terms energy: -764.759688 where: bonds (distance) C4'-P energy: -134.294 bonds (distance) P-C4' energy: -137.327 flat angles C4'-P-C4' energy: -153.707 flat angles P-C4'-P energy: -115.958 tors. eta vs tors. theta energy: -223.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2570.846169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.846169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.846169 (E_RNA) where: Base-Base interactions energy: -1836.906 where: short stacking energy: -744.641 Base-Backbone interact. energy: -1.387 local terms energy: -732.553357 where: bonds (distance) C4'-P energy: -116.510 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -149.718 flat angles P-C4'-P energy: -101.152 tors. eta vs tors. theta energy: -230.643 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: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2548.178469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.178469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.178469 (E_RNA) where: Base-Base interactions energy: -1800.017 where: short stacking energy: -736.896 Base-Backbone interact. energy: -1.745 local terms energy: -746.415630 where: bonds (distance) C4'-P energy: -128.133 bonds (distance) P-C4' energy: -128.536 flat angles C4'-P-C4' energy: -149.593 flat angles P-C4'-P energy: -101.990 tors. eta vs tors. theta energy: -238.163 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: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2445.657980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.657980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.657980 (E_RNA) where: Base-Base interactions energy: -1738.589 where: short stacking energy: -712.367 Base-Backbone interact. energy: -2.976 local terms energy: -704.093123 where: bonds (distance) C4'-P energy: -116.016 bonds (distance) P-C4' energy: -113.797 flat angles C4'-P-C4' energy: -147.973 flat angles P-C4'-P energy: -104.209 tors. eta vs tors. theta energy: -222.098 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: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2304.620262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.620262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.620262 (E_RNA) where: Base-Base interactions energy: -1635.647 where: short stacking energy: -683.069 Base-Backbone interact. energy: -0.263 local terms energy: -668.709557 where: bonds (distance) C4'-P energy: -108.613 bonds (distance) P-C4' energy: -121.357 flat angles C4'-P-C4' energy: -150.622 flat angles P-C4'-P energy: -93.006 tors. eta vs tors. theta energy: -195.112 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: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2153.165919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.165919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.165919 (E_RNA) where: Base-Base interactions energy: -1507.818 where: short stacking energy: -603.519 Base-Backbone interact. energy: 8.849 local terms energy: -654.196676 where: bonds (distance) C4'-P energy: -110.193 bonds (distance) P-C4' energy: -135.008 flat angles C4'-P-C4' energy: -141.149 flat angles P-C4'-P energy: -93.167 tors. eta vs tors. theta energy: -174.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1771.652624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.652624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.652624 (E_RNA) where: Base-Base interactions energy: -1243.212 where: short stacking energy: -514.643 Base-Backbone interact. energy: -0.835 local terms energy: -527.605675 where: bonds (distance) C4'-P energy: -101.160 bonds (distance) P-C4' energy: -112.854 flat angles C4'-P-C4' energy: -121.178 flat angles P-C4'-P energy: -72.532 tors. eta vs tors. theta energy: -119.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1547.901961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.901961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.901961 (E_RNA) where: Base-Base interactions energy: -1028.982 where: short stacking energy: -443.982 Base-Backbone interact. energy: -0.022 local terms energy: -518.897421 where: bonds (distance) C4'-P energy: -105.744 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -125.750 flat angles P-C4'-P energy: -78.271 tors. eta vs tors. theta energy: -112.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1530.477829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.477829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.477829 (E_RNA) where: Base-Base interactions energy: -1029.252 where: short stacking energy: -450.110 Base-Backbone interact. energy: 1.135 local terms energy: -502.361257 where: bonds (distance) C4'-P energy: -99.211 bonds (distance) P-C4' energy: -112.022 flat angles C4'-P-C4' energy: -116.539 flat angles P-C4'-P energy: -72.055 tors. eta vs tors. theta energy: -102.534 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: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1125.622579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.622579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.622579 (E_RNA) where: Base-Base interactions energy: -716.852 where: short stacking energy: -331.406 Base-Backbone interact. energy: -0.892 local terms energy: -407.877872 where: bonds (distance) C4'-P energy: -104.089 bonds (distance) P-C4' energy: -94.589 flat angles C4'-P-C4' energy: -107.742 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -48.734 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: 130 Temperature: 0.900000 Total energy: -2634.974759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.974759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.974759 (E_RNA) where: Base-Base interactions energy: -1859.205 where: short stacking energy: -772.608 Base-Backbone interact. energy: 2.516 local terms energy: -778.285684 where: bonds (distance) C4'-P energy: -125.402 bonds (distance) P-C4' energy: -134.856 flat angles C4'-P-C4' energy: -163.524 flat angles P-C4'-P energy: -120.791 tors. eta vs tors. theta energy: -233.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2577.569829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.569829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.569829 (E_RNA) where: Base-Base interactions energy: -1842.908 where: short stacking energy: -765.854 Base-Backbone interact. energy: -2.001 local terms energy: -732.660038 where: bonds (distance) C4'-P energy: -119.083 bonds (distance) P-C4' energy: -118.429 flat angles C4'-P-C4' energy: -149.412 flat angles P-C4'-P energy: -105.668 tors. eta vs tors. theta energy: -240.068 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: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2552.113556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.113556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.113556 (E_RNA) where: Base-Base interactions energy: -1823.550 where: short stacking energy: -725.121 Base-Backbone interact. energy: -0.552 local terms energy: -728.010963 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -130.951 flat angles C4'-P-C4' energy: -146.438 flat angles P-C4'-P energy: -102.174 tors. eta vs tors. theta energy: -226.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2459.026691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.026691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.026691 (E_RNA) where: Base-Base interactions energy: -1730.353 where: short stacking energy: -714.520 Base-Backbone interact. energy: -2.110 local terms energy: -726.563592 where: bonds (distance) C4'-P energy: -128.526 bonds (distance) P-C4' energy: -121.164 flat angles C4'-P-C4' energy: -145.517 flat angles P-C4'-P energy: -111.360 tors. eta vs tors. theta energy: -219.996 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: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2310.021605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.021605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.021605 (E_RNA) where: Base-Base interactions energy: -1618.692 where: short stacking energy: -678.765 Base-Backbone interact. energy: -2.109 local terms energy: -689.221129 where: bonds (distance) C4'-P energy: -113.213 bonds (distance) P-C4' energy: -130.294 flat angles C4'-P-C4' energy: -138.184 flat angles P-C4'-P energy: -102.856 tors. eta vs tors. theta energy: -204.674 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: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2128.753622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.753622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.753622 (E_RNA) where: Base-Base interactions energy: -1482.458 where: short stacking energy: -633.511 Base-Backbone interact. energy: -0.541 local terms energy: -645.755242 where: bonds (distance) C4'-P energy: -129.523 bonds (distance) P-C4' energy: -108.091 flat angles C4'-P-C4' energy: -134.147 flat angles P-C4'-P energy: -91.207 tors. eta vs tors. theta energy: -182.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1735.393896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.393896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.393896 (E_RNA) where: Base-Base interactions energy: -1193.101 where: short stacking energy: -482.444 Base-Backbone interact. energy: 2.123 local terms energy: -544.415304 where: bonds (distance) C4'-P energy: -112.207 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -114.777 flat angles P-C4'-P energy: -77.864 tors. eta vs tors. theta energy: -119.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1558.655735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.655735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.655735 (E_RNA) where: Base-Base interactions energy: -1060.616 where: short stacking energy: -421.075 Base-Backbone interact. energy: -4.115 local terms energy: -493.924744 where: bonds (distance) C4'-P energy: -102.590 bonds (distance) P-C4' energy: -111.381 flat angles C4'-P-C4' energy: -123.053 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -84.873 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: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1503.168028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.168028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.168028 (E_RNA) where: Base-Base interactions energy: -982.221 where: short stacking energy: -422.358 Base-Backbone interact. energy: -3.751 local terms energy: -517.196071 where: bonds (distance) C4'-P energy: -96.949 bonds (distance) P-C4' energy: -117.770 flat angles C4'-P-C4' energy: -113.169 flat angles P-C4'-P energy: -88.522 tors. eta vs tors. theta energy: -100.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1093.263161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.263161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.263161 (E_RNA) where: Base-Base interactions energy: -693.769 where: short stacking energy: -323.272 Base-Backbone interact. energy: 2.268 local terms energy: -401.762667 where: bonds (distance) C4'-P energy: -103.738 bonds (distance) P-C4' energy: -111.614 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -37.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2618.425002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.425002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.425002 (E_RNA) where: Base-Base interactions energy: -1863.968 where: short stacking energy: -756.128 Base-Backbone interact. energy: -0.700 local terms energy: -753.756891 where: bonds (distance) C4'-P energy: -125.462 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -156.738 flat angles P-C4'-P energy: -106.537 tors. eta vs tors. theta energy: -230.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2576.667820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.667820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.667820 (E_RNA) where: Base-Base interactions energy: -1819.336 where: short stacking energy: -758.261 Base-Backbone interact. energy: 0.983 local terms energy: -758.315547 where: bonds (distance) C4'-P energy: -130.096 bonds (distance) P-C4' energy: -153.972 flat angles C4'-P-C4' energy: -143.491 flat angles P-C4'-P energy: -105.201 tors. eta vs tors. theta energy: -225.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2548.197495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.197495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.197495 (E_RNA) where: Base-Base interactions energy: -1826.742 where: short stacking energy: -745.536 Base-Backbone interact. energy: -2.042 local terms energy: -719.413311 where: bonds (distance) C4'-P energy: -113.393 bonds (distance) P-C4' energy: -129.917 flat angles C4'-P-C4' energy: -162.768 flat angles P-C4'-P energy: -95.357 tors. eta vs tors. theta energy: -217.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2462.670426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.670426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.670426 (E_RNA) where: Base-Base interactions energy: -1728.398 where: short stacking energy: -696.443 Base-Backbone interact. energy: -2.018 local terms energy: -732.254305 where: bonds (distance) C4'-P energy: -137.945 bonds (distance) P-C4' energy: -124.032 flat angles C4'-P-C4' energy: -149.138 flat angles P-C4'-P energy: -104.127 tors. eta vs tors. theta energy: -217.011 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: 131 Temperature: 1.100000 Total energy: -2326.880049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.880049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.880049 (E_RNA) where: Base-Base interactions energy: -1650.150 where: short stacking energy: -687.540 Base-Backbone interact. energy: 0.911 local terms energy: -677.641786 where: bonds (distance) C4'-P energy: -112.222 bonds (distance) P-C4' energy: -105.268 flat angles C4'-P-C4' energy: -143.141 flat angles P-C4'-P energy: -107.453 tors. eta vs tors. theta energy: -209.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2164.570739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.570739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.570739 (E_RNA) where: Base-Base interactions energy: -1549.318 where: short stacking energy: -642.180 Base-Backbone interact. energy: 1.567 local terms energy: -616.819590 where: bonds (distance) C4'-P energy: -88.019 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -131.830 flat angles P-C4'-P energy: -91.283 tors. eta vs tors. theta energy: -188.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1760.346592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.346592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.346592 (E_RNA) where: Base-Base interactions energy: -1240.239 where: short stacking energy: -512.050 Base-Backbone interact. energy: -3.193 local terms energy: -516.914510 where: bonds (distance) C4'-P energy: -118.835 bonds (distance) P-C4' energy: -104.641 flat angles C4'-P-C4' energy: -102.667 flat angles P-C4'-P energy: -70.261 tors. eta vs tors. theta energy: -120.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1659.068987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.068987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.068987 (E_RNA) where: Base-Base interactions energy: -1105.151 where: short stacking energy: -486.718 Base-Backbone interact. energy: -1.003 local terms energy: -552.915082 where: bonds (distance) C4'-P energy: -94.424 bonds (distance) P-C4' energy: -116.800 flat angles C4'-P-C4' energy: -123.988 flat angles P-C4'-P energy: -80.667 tors. eta vs tors. theta energy: -137.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1399.407752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.407752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.407752 (E_RNA) where: Base-Base interactions energy: -918.653 where: short stacking energy: -427.003 Base-Backbone interact. energy: -2.614 local terms energy: -478.140539 where: bonds (distance) C4'-P energy: -112.075 bonds (distance) P-C4' energy: -99.792 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -59.415 tors. eta vs tors. theta energy: -85.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1201.432068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.432068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.432068 (E_RNA) where: Base-Base interactions energy: -731.261 where: short stacking energy: -329.728 Base-Backbone interact. energy: 5.660 local terms energy: -475.831139 where: bonds (distance) C4'-P energy: -107.211 bonds (distance) P-C4' energy: -127.789 flat angles C4'-P-C4' energy: -109.761 flat angles P-C4'-P energy: -79.779 tors. eta vs tors. theta energy: -51.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2620.353419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.353419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.353419 (E_RNA) where: Base-Base interactions energy: -1854.121 where: short stacking energy: -756.034 Base-Backbone interact. energy: 2.027 local terms energy: -768.259676 where: bonds (distance) C4'-P energy: -133.977 bonds (distance) P-C4' energy: -136.787 flat angles C4'-P-C4' energy: -149.054 flat angles P-C4'-P energy: -113.168 tors. eta vs tors. theta energy: -235.274 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: 132 Temperature: 0.950000 Total energy: -2561.708534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.708534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.708534 (E_RNA) where: Base-Base interactions energy: -1823.070 where: short stacking energy: -738.794 Base-Backbone interact. energy: -1.516 local terms energy: -737.122342 where: bonds (distance) C4'-P energy: -137.230 bonds (distance) P-C4' energy: -119.140 flat angles C4'-P-C4' energy: -151.591 flat angles P-C4'-P energy: -106.796 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: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2547.415955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.415955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.415955 (E_RNA) where: Base-Base interactions energy: -1828.640 where: short stacking energy: -736.175 Base-Backbone interact. energy: -0.233 local terms energy: -718.542804 where: bonds (distance) C4'-P energy: -127.872 bonds (distance) P-C4' energy: -125.711 flat angles C4'-P-C4' energy: -135.670 flat angles P-C4'-P energy: -102.150 tors. eta vs tors. theta energy: -227.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2450.397078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.397078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.397078 (E_RNA) where: Base-Base interactions energy: -1759.287 where: short stacking energy: -706.558 Base-Backbone interact. energy: 0.191 local terms energy: -691.301601 where: bonds (distance) C4'-P energy: -125.009 bonds (distance) P-C4' energy: -121.679 flat angles C4'-P-C4' energy: -137.856 flat angles P-C4'-P energy: -88.108 tors. eta vs tors. theta energy: -218.649 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: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2306.124760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.124760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.124760 (E_RNA) where: Base-Base interactions energy: -1613.367 where: short stacking energy: -666.416 Base-Backbone interact. energy: -0.478 local terms energy: -692.279748 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -123.761 flat angles C4'-P-C4' energy: -145.568 flat angles P-C4'-P energy: -104.000 tors. eta vs tors. theta energy: -199.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2199.204052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.204052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.204052 (E_RNA) where: Base-Base interactions energy: -1581.121 where: short stacking energy: -616.223 Base-Backbone interact. energy: -1.077 local terms energy: -617.005910 where: bonds (distance) C4'-P energy: -103.942 bonds (distance) P-C4' energy: -107.984 flat angles C4'-P-C4' energy: -134.842 flat angles P-C4'-P energy: -94.715 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: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1751.727315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.727315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.727315 (E_RNA) where: Base-Base interactions energy: -1178.115 where: short stacking energy: -495.068 Base-Backbone interact. energy: 2.222 local terms energy: -575.834563 where: bonds (distance) C4'-P energy: -105.544 bonds (distance) P-C4' energy: -115.461 flat angles C4'-P-C4' energy: -121.049 flat angles P-C4'-P energy: -88.282 tors. eta vs tors. theta energy: -145.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1612.336797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.336797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.336797 (E_RNA) where: Base-Base interactions energy: -1077.165 where: short stacking energy: -456.055 Base-Backbone interact. energy: 0.394 local terms energy: -535.565642 where: bonds (distance) C4'-P energy: -97.217 bonds (distance) P-C4' energy: -105.523 flat angles C4'-P-C4' energy: -131.004 flat angles P-C4'-P energy: -97.145 tors. eta vs tors. theta energy: -104.677 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: 132 Temperature: 1.300000 Total energy: -1331.723956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.723956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.723956 (E_RNA) where: Base-Base interactions energy: -860.965 where: short stacking energy: -349.765 Base-Backbone interact. energy: -3.436 local terms energy: -467.322631 where: bonds (distance) C4'-P energy: -114.447 bonds (distance) P-C4' energy: -120.781 flat angles C4'-P-C4' energy: -100.979 flat angles P-C4'-P energy: -68.969 tors. eta vs tors. theta energy: -62.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1269.172863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.172863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.172863 (E_RNA) where: Base-Base interactions energy: -848.303 where: short stacking energy: -372.745 Base-Backbone interact. energy: 5.545 local terms energy: -426.414944 where: bonds (distance) C4'-P energy: -113.131 bonds (distance) P-C4' energy: -81.904 flat angles C4'-P-C4' energy: -98.299 flat angles P-C4'-P energy: -73.848 tors. eta vs tors. theta energy: -59.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2615.147475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.147475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.147475 (E_RNA) where: Base-Base interactions energy: -1835.197 where: short stacking energy: -761.891 Base-Backbone interact. energy: 1.108 local terms energy: -781.058121 where: bonds (distance) C4'-P energy: -131.586 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -158.302 flat angles P-C4'-P energy: -117.140 tors. eta vs tors. theta energy: -236.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2585.822023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.822023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.822023 (E_RNA) where: Base-Base interactions energy: -1840.684 where: short stacking energy: -738.820 Base-Backbone interact. energy: -1.785 local terms energy: -743.352426 where: bonds (distance) C4'-P energy: -132.771 bonds (distance) P-C4' energy: -127.376 flat angles C4'-P-C4' energy: -150.307 flat angles P-C4'-P energy: -104.202 tors. eta vs tors. theta energy: -228.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2522.147065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.147065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.147065 (E_RNA) where: Base-Base interactions energy: -1804.220 where: short stacking energy: -741.252 Base-Backbone interact. energy: -3.721 local terms energy: -714.205683 where: bonds (distance) C4'-P energy: -116.063 bonds (distance) P-C4' energy: -122.212 flat angles C4'-P-C4' energy: -159.230 flat angles P-C4'-P energy: -92.717 tors. eta vs tors. theta energy: -223.985 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: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2460.685479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.685479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.685479 (E_RNA) where: Base-Base interactions energy: -1744.258 where: short stacking energy: -733.810 Base-Backbone interact. energy: -1.111 local terms energy: -715.316379 where: bonds (distance) C4'-P energy: -111.053 bonds (distance) P-C4' energy: -123.676 flat angles C4'-P-C4' energy: -153.395 flat angles P-C4'-P energy: -108.441 tors. eta vs tors. theta energy: -218.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2314.415069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.415069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.415069 (E_RNA) where: Base-Base interactions energy: -1656.707 where: short stacking energy: -692.067 Base-Backbone interact. energy: -1.765 local terms energy: -655.942768 where: bonds (distance) C4'-P energy: -121.638 bonds (distance) P-C4' energy: -120.538 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -95.157 tors. eta vs tors. theta energy: -195.131 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: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2176.081418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.081418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.081418 (E_RNA) where: Base-Base interactions energy: -1515.347 where: short stacking energy: -610.832 Base-Backbone interact. energy: -2.489 local terms energy: -658.245332 where: bonds (distance) C4'-P energy: -118.853 bonds (distance) P-C4' energy: -112.866 flat angles C4'-P-C4' energy: -140.968 flat angles P-C4'-P energy: -98.697 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: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1740.944665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.944665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.944665 (E_RNA) where: Base-Base interactions energy: -1184.826 where: short stacking energy: -508.464 Base-Backbone interact. energy: -2.140 local terms energy: -553.978462 where: bonds (distance) C4'-P energy: -122.212 bonds (distance) P-C4' energy: -102.552 flat angles C4'-P-C4' energy: -125.863 flat angles P-C4'-P energy: -75.765 tors. eta vs tors. theta energy: -127.586 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: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1679.188463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.188463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.188463 (E_RNA) where: Base-Base interactions energy: -1158.845 where: short stacking energy: -498.719 Base-Backbone interact. energy: 0.164 local terms energy: -520.507569 where: bonds (distance) C4'-P energy: -107.695 bonds (distance) P-C4' energy: -102.717 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -74.984 tors. eta vs tors. theta energy: -112.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1331.058318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.058318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.058318 (E_RNA) where: Base-Base interactions energy: -864.501 where: short stacking energy: -372.107 Base-Backbone interact. energy: 4.033 local terms energy: -470.589980 where: bonds (distance) C4'-P energy: -96.780 bonds (distance) P-C4' energy: -104.312 flat angles C4'-P-C4' energy: -121.686 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -71.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1317.692383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.692383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.692383 (E_RNA) where: Base-Base interactions energy: -824.628 where: short stacking energy: -392.968 Base-Backbone interact. energy: -1.943 local terms energy: -491.121772 where: bonds (distance) C4'-P energy: -99.519 bonds (distance) P-C4' energy: -109.826 flat angles C4'-P-C4' energy: -124.062 flat angles P-C4'-P energy: -62.512 tors. eta vs tors. theta energy: -95.203 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: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2639.455141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.455141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.455141 (E_RNA) where: Base-Base interactions energy: -1877.265 where: short stacking energy: -772.719 Base-Backbone interact. energy: -1.737 local terms energy: -760.452741 where: bonds (distance) C4'-P energy: -132.756 bonds (distance) P-C4' energy: -130.833 flat angles C4'-P-C4' energy: -155.666 flat angles P-C4'-P energy: -105.891 tors. eta vs tors. theta energy: -235.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2636.150428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.150428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.150428 (E_RNA) where: Base-Base interactions energy: -1872.843 where: short stacking energy: -750.319 Base-Backbone interact. energy: 0.999 local terms energy: -764.306449 where: bonds (distance) C4'-P energy: -127.358 bonds (distance) P-C4' energy: -139.130 flat angles C4'-P-C4' energy: -152.920 flat angles P-C4'-P energy: -111.949 tors. eta vs tors. theta energy: -232.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2506.428746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.428746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.428746 (E_RNA) where: Base-Base interactions energy: -1770.938 where: short stacking energy: -715.539 Base-Backbone interact. energy: -0.374 local terms energy: -735.116913 where: bonds (distance) C4'-P energy: -125.038 bonds (distance) P-C4' energy: -135.842 flat angles C4'-P-C4' energy: -161.454 flat angles P-C4'-P energy: -98.200 tors. eta vs tors. theta energy: -214.582 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: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2503.094598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.094598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.094598 (E_RNA) where: Base-Base interactions energy: -1797.985 where: short stacking energy: -748.579 Base-Backbone interact. energy: -1.935 local terms energy: -703.174326 where: bonds (distance) C4'-P energy: -122.666 bonds (distance) P-C4' energy: -110.694 flat angles C4'-P-C4' energy: -141.557 flat angles P-C4'-P energy: -105.018 tors. eta vs tors. theta energy: -223.240 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: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2345.587962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.587962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.587962 (E_RNA) where: Base-Base interactions energy: -1685.389 where: short stacking energy: -694.825 Base-Backbone interact. energy: -0.504 local terms energy: -659.694326 where: bonds (distance) C4'-P energy: -105.537 bonds (distance) P-C4' energy: -119.080 flat angles C4'-P-C4' energy: -149.288 flat angles P-C4'-P energy: -92.178 tors. eta vs tors. theta energy: -193.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2205.669903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.669903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.669903 (E_RNA) where: Base-Base interactions energy: -1513.068 where: short stacking energy: -634.022 Base-Backbone interact. energy: 0.833 local terms energy: -693.434074 where: bonds (distance) C4'-P energy: -139.033 bonds (distance) P-C4' energy: -121.577 flat angles C4'-P-C4' energy: -133.551 flat angles P-C4'-P energy: -105.507 tors. eta vs tors. theta energy: -193.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1785.664845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.664845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.664845 (E_RNA) where: Base-Base interactions energy: -1224.824 where: short stacking energy: -502.463 Base-Backbone interact. energy: -1.314 local terms energy: -559.527132 where: bonds (distance) C4'-P energy: -108.401 bonds (distance) P-C4' energy: -99.469 flat angles C4'-P-C4' energy: -131.814 flat angles P-C4'-P energy: -85.207 tors. eta vs tors. theta energy: -134.636 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: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1612.675556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.675556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.675556 (E_RNA) where: Base-Base interactions energy: -1103.347 where: short stacking energy: -462.177 Base-Backbone interact. energy: 4.261 local terms energy: -513.589624 where: bonds (distance) C4'-P energy: -111.889 bonds (distance) P-C4' energy: -114.349 flat angles C4'-P-C4' energy: -112.389 flat angles P-C4'-P energy: -69.290 tors. eta vs tors. theta energy: -105.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1444.928733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.928733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.928733 (E_RNA) where: Base-Base interactions energy: -946.874 where: short stacking energy: -391.887 Base-Backbone interact. energy: 2.368 local terms energy: -500.421897 where: bonds (distance) C4'-P energy: -104.382 bonds (distance) P-C4' energy: -114.273 flat angles C4'-P-C4' energy: -117.479 flat angles P-C4'-P energy: -69.164 tors. eta vs tors. theta energy: -95.124 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: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1226.975638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.975638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.975638 (E_RNA) where: Base-Base interactions energy: -786.934 where: short stacking energy: -354.734 Base-Backbone interact. energy: 0.957 local terms energy: -440.999214 where: bonds (distance) C4'-P energy: -114.713 bonds (distance) P-C4' energy: -83.529 flat angles C4'-P-C4' energy: -105.969 flat angles P-C4'-P energy: -77.402 tors. eta vs tors. theta energy: -59.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2623.650361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.650361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.650361 (E_RNA) where: Base-Base interactions energy: -1846.076 where: short stacking energy: -740.149 Base-Backbone interact. energy: -6.899 local terms energy: -770.675043 where: bonds (distance) C4'-P energy: -135.977 bonds (distance) P-C4' energy: -136.750 flat angles C4'-P-C4' energy: -152.943 flat angles P-C4'-P energy: -109.658 tors. eta vs tors. theta energy: -235.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2574.316028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.316028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.316028 (E_RNA) where: Base-Base interactions energy: -1834.239 where: short stacking energy: -748.934 Base-Backbone interact. energy: -0.317 local terms energy: -739.760057 where: bonds (distance) C4'-P energy: -125.146 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -154.719 flat angles P-C4'-P energy: -106.147 tors. eta vs tors. theta energy: -221.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2552.728228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.728228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.728228 (E_RNA) where: Base-Base interactions energy: -1827.216 where: short stacking energy: -727.675 Base-Backbone interact. energy: -1.705 local terms energy: -723.807094 where: bonds (distance) C4'-P energy: -116.027 bonds (distance) P-C4' energy: -121.933 flat angles C4'-P-C4' energy: -157.184 flat angles P-C4'-P energy: -103.725 tors. eta vs tors. theta energy: -224.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2431.688589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.688589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.688589 (E_RNA) where: Base-Base interactions energy: -1706.242 where: short stacking energy: -701.210 Base-Backbone interact. energy: -0.458 local terms energy: -724.988546 where: bonds (distance) C4'-P energy: -121.357 bonds (distance) P-C4' energy: -124.310 flat angles C4'-P-C4' energy: -158.666 flat angles P-C4'-P energy: -109.314 tors. eta vs tors. theta energy: -211.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2350.917953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.917953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.917953 (E_RNA) where: Base-Base interactions energy: -1651.051 where: short stacking energy: -682.385 Base-Backbone interact. energy: -0.437 local terms energy: -699.429351 where: bonds (distance) C4'-P energy: -113.845 bonds (distance) P-C4' energy: -127.577 flat angles C4'-P-C4' energy: -147.709 flat angles P-C4'-P energy: -101.430 tors. eta vs tors. theta energy: -208.868 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: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2215.404986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.404986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.404986 (E_RNA) where: Base-Base interactions energy: -1550.517 where: short stacking energy: -617.883 Base-Backbone interact. energy: 2.220 local terms energy: -667.107060 where: bonds (distance) C4'-P energy: -123.631 bonds (distance) P-C4' energy: -114.612 flat angles C4'-P-C4' energy: -138.934 flat angles P-C4'-P energy: -95.336 tors. eta vs tors. theta energy: -194.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1864.171135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.171135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.171135 (E_RNA) where: Base-Base interactions energy: -1270.419 where: short stacking energy: -553.976 Base-Backbone interact. energy: 2.370 local terms energy: -596.122531 where: bonds (distance) C4'-P energy: -114.796 bonds (distance) P-C4' energy: -127.509 flat angles C4'-P-C4' energy: -121.924 flat angles P-C4'-P energy: -85.980 tors. eta vs tors. theta energy: -145.914 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: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1694.609916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.609916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.609916 (E_RNA) where: Base-Base interactions energy: -1132.065 where: short stacking energy: -481.490 Base-Backbone interact. energy: 0.245 local terms energy: -562.789628 where: bonds (distance) C4'-P energy: -107.666 bonds (distance) P-C4' energy: -123.418 flat angles C4'-P-C4' energy: -126.612 flat angles P-C4'-P energy: -83.419 tors. eta vs tors. theta energy: -121.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1450.488963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.488963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.488963 (E_RNA) where: Base-Base interactions energy: -929.396 where: short stacking energy: -395.240 Base-Backbone interact. energy: -2.481 local terms energy: -518.611440 where: bonds (distance) C4'-P energy: -109.459 bonds (distance) P-C4' energy: -111.617 flat angles C4'-P-C4' energy: -113.385 flat angles P-C4'-P energy: -81.084 tors. eta vs tors. theta energy: -103.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1098.871902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.871902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.871902 (E_RNA) where: Base-Base interactions energy: -651.975 where: short stacking energy: -296.519 Base-Backbone interact. energy: 2.284 local terms energy: -449.181332 where: bonds (distance) C4'-P energy: -114.703 bonds (distance) P-C4' energy: -124.347 flat angles C4'-P-C4' energy: -103.921 flat angles P-C4'-P energy: -63.143 tors. eta vs tors. theta energy: -43.067 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: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2641.584942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.584942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.584942 (E_RNA) where: Base-Base interactions energy: -1886.309 where: short stacking energy: -776.020 Base-Backbone interact. energy: -3.981 local terms energy: -751.294874 where: bonds (distance) C4'-P energy: -134.545 bonds (distance) P-C4' energy: -132.948 flat angles C4'-P-C4' energy: -142.780 flat angles P-C4'-P energy: -110.627 tors. eta vs tors. theta energy: -230.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2570.122509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.122509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.122509 (E_RNA) where: Base-Base interactions energy: -1812.510 where: short stacking energy: -757.078 Base-Backbone interact. energy: -1.308 local terms energy: -756.303957 where: bonds (distance) C4'-P energy: -130.051 bonds (distance) P-C4' energy: -127.097 flat angles C4'-P-C4' energy: -158.781 flat angles P-C4'-P energy: -114.044 tors. eta vs tors. theta energy: -226.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2561.237204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.237204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.237204 (E_RNA) where: Base-Base interactions energy: -1827.985 where: short stacking energy: -725.608 Base-Backbone interact. energy: -1.920 local terms energy: -731.332893 where: bonds (distance) C4'-P energy: -120.988 bonds (distance) P-C4' energy: -123.652 flat angles C4'-P-C4' energy: -153.810 flat angles P-C4'-P energy: -93.544 tors. eta vs tors. theta energy: -239.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2459.471222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.471222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.471222 (E_RNA) where: Base-Base interactions energy: -1764.774 where: short stacking energy: -714.282 Base-Backbone interact. energy: 0.752 local terms energy: -695.448860 where: bonds (distance) C4'-P energy: -114.207 bonds (distance) P-C4' energy: -127.535 flat angles C4'-P-C4' energy: -155.334 flat angles P-C4'-P energy: -85.727 tors. eta vs tors. theta energy: -212.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2379.529454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.529454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.529454 (E_RNA) where: Base-Base interactions energy: -1692.601 where: short stacking energy: -704.090 Base-Backbone interact. energy: 0.149 local terms energy: -687.076798 where: bonds (distance) C4'-P energy: -118.995 bonds (distance) P-C4' energy: -123.623 flat angles C4'-P-C4' energy: -133.754 flat angles P-C4'-P energy: -99.674 tors. eta vs tors. theta energy: -211.031 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: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2189.776392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.776392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.776392 (E_RNA) where: Base-Base interactions energy: -1533.967 where: short stacking energy: -641.691 Base-Backbone interact. energy: 4.938 local terms energy: -660.747034 where: bonds (distance) C4'-P energy: -94.421 bonds (distance) P-C4' energy: -115.364 flat angles C4'-P-C4' energy: -144.462 flat angles P-C4'-P energy: -110.448 tors. eta vs tors. theta energy: -196.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1817.884049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.884049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.884049 (E_RNA) where: Base-Base interactions energy: -1225.861 where: short stacking energy: -514.204 Base-Backbone interact. energy: 3.514 local terms energy: -595.537210 where: bonds (distance) C4'-P energy: -116.030 bonds (distance) P-C4' energy: -111.875 flat angles C4'-P-C4' energy: -134.979 flat angles P-C4'-P energy: -80.492 tors. eta vs tors. theta energy: -152.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1650.457741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.457741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.457741 (E_RNA) where: Base-Base interactions energy: -1124.258 where: short stacking energy: -504.545 Base-Backbone interact. energy: 5.743 local terms energy: -531.943424 where: bonds (distance) C4'-P energy: -113.317 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -77.909 tors. eta vs tors. theta energy: -116.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1483.583045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.583045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.583045 (E_RNA) where: Base-Base interactions energy: -978.037 where: short stacking energy: -432.817 Base-Backbone interact. energy: -4.544 local terms energy: -501.002228 where: bonds (distance) C4'-P energy: -106.363 bonds (distance) P-C4' energy: -102.397 flat angles C4'-P-C4' energy: -113.252 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: -108.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1070.685400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.685400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.685400 (E_RNA) where: Base-Base interactions energy: -669.703 where: short stacking energy: -303.056 Base-Backbone interact. energy: 3.034 local terms energy: -404.016987 where: bonds (distance) C4'-P energy: -99.674 bonds (distance) P-C4' energy: -113.137 flat angles C4'-P-C4' energy: -92.577 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -41.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2625.034464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.034464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.034464 (E_RNA) where: Base-Base interactions energy: -1864.122 where: short stacking energy: -733.531 Base-Backbone interact. energy: -1.636 local terms energy: -759.276537 where: bonds (distance) C4'-P energy: -137.154 bonds (distance) P-C4' energy: -127.905 flat angles C4'-P-C4' energy: -159.800 flat angles P-C4'-P energy: -104.220 tors. eta vs tors. theta energy: -230.198 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: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2547.498024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.498024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.498024 (E_RNA) where: Base-Base interactions energy: -1812.660 where: short stacking energy: -765.866 Base-Backbone interact. energy: -1.235 local terms energy: -733.603234 where: bonds (distance) C4'-P energy: -126.407 bonds (distance) P-C4' energy: -118.728 flat angles C4'-P-C4' energy: -152.709 flat angles P-C4'-P energy: -105.546 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: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2509.012723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.012723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.012723 (E_RNA) where: Base-Base interactions energy: -1796.514 where: short stacking energy: -719.644 Base-Backbone interact. energy: -3.321 local terms energy: -709.177994 where: bonds (distance) C4'-P energy: -122.373 bonds (distance) P-C4' energy: -130.728 flat angles C4'-P-C4' energy: -142.255 flat angles P-C4'-P energy: -94.863 tors. eta vs tors. theta energy: -218.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2449.061341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.061341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.061341 (E_RNA) where: Base-Base interactions energy: -1745.072 where: short stacking energy: -706.675 Base-Backbone interact. energy: -0.439 local terms energy: -703.550482 where: bonds (distance) C4'-P energy: -109.457 bonds (distance) P-C4' energy: -132.440 flat angles C4'-P-C4' energy: -145.980 flat angles P-C4'-P energy: -97.554 tors. eta vs tors. theta energy: -218.119 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: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2357.312635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.312635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.312635 (E_RNA) where: Base-Base interactions energy: -1669.109 where: short stacking energy: -682.572 Base-Backbone interact. energy: -3.528 local terms energy: -684.675463 where: bonds (distance) C4'-P energy: -93.594 bonds (distance) P-C4' energy: -132.293 flat angles C4'-P-C4' energy: -152.169 flat angles P-C4'-P energy: -92.336 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: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2141.129187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.129187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.129187 (E_RNA) where: Base-Base interactions energy: -1489.518 where: short stacking energy: -630.037 Base-Backbone interact. energy: -1.942 local terms energy: -649.669134 where: bonds (distance) C4'-P energy: -101.514 bonds (distance) P-C4' energy: -113.483 flat angles C4'-P-C4' energy: -146.774 flat angles P-C4'-P energy: -104.709 tors. eta vs tors. theta energy: -183.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1837.490411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.490411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.490411 (E_RNA) where: Base-Base interactions energy: -1257.904 where: short stacking energy: -529.766 Base-Backbone interact. energy: -0.395 local terms energy: -579.191295 where: bonds (distance) C4'-P energy: -126.490 bonds (distance) P-C4' energy: -118.790 flat angles C4'-P-C4' energy: -120.048 flat angles P-C4'-P energy: -85.944 tors. eta vs tors. theta energy: -127.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1632.438259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.438259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.438259 (E_RNA) where: Base-Base interactions energy: -1113.659 where: short stacking energy: -480.011 Base-Backbone interact. energy: -2.880 local terms energy: -515.899309 where: bonds (distance) C4'-P energy: -99.729 bonds (distance) P-C4' energy: -138.059 flat angles C4'-P-C4' energy: -100.177 flat angles P-C4'-P energy: -59.093 tors. eta vs tors. theta energy: -118.842 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: 137 Temperature: 1.300000 Total energy: -1430.265623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.265623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.265623 (E_RNA) where: Base-Base interactions energy: -934.857 where: short stacking energy: -406.399 Base-Backbone interact. energy: 2.549 local terms energy: -497.957717 where: bonds (distance) C4'-P energy: -122.096 bonds (distance) P-C4' energy: -98.843 flat angles C4'-P-C4' energy: -106.706 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -94.046 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: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1192.268083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.268083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.268083 (E_RNA) where: Base-Base interactions energy: -768.460 where: short stacking energy: -326.972 Base-Backbone interact. energy: -4.112 local terms energy: -419.696101 where: bonds (distance) C4'-P energy: -112.843 bonds (distance) P-C4' energy: -103.135 flat angles C4'-P-C4' energy: -116.044 flat angles P-C4'-P energy: -37.488 tors. eta vs tors. theta energy: -50.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2617.049162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.049162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.049162 (E_RNA) where: Base-Base interactions energy: -1837.063 where: short stacking energy: -743.594 Base-Backbone interact. energy: -2.791 local terms energy: -777.195197 where: bonds (distance) C4'-P energy: -130.340 bonds (distance) P-C4' energy: -145.771 flat angles C4'-P-C4' energy: -159.762 flat angles P-C4'-P energy: -108.918 tors. eta vs tors. theta energy: -232.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2569.718908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.718908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.718908 (E_RNA) where: Base-Base interactions energy: -1811.584 where: short stacking energy: -735.524 Base-Backbone interact. energy: -0.531 local terms energy: -757.604201 where: bonds (distance) C4'-P energy: -134.700 bonds (distance) P-C4' energy: -132.660 flat angles C4'-P-C4' energy: -154.757 flat angles P-C4'-P energy: -109.243 tors. eta vs tors. theta energy: -226.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2535.302154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.302154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.302154 (E_RNA) where: Base-Base interactions energy: -1804.683 where: short stacking energy: -736.915 Base-Backbone interact. energy: -1.255 local terms energy: -729.363881 where: bonds (distance) C4'-P energy: -132.676 bonds (distance) P-C4' energy: -135.531 flat angles C4'-P-C4' energy: -135.958 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -220.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2455.368705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.368705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.368705 (E_RNA) where: Base-Base interactions energy: -1752.004 where: short stacking energy: -726.039 Base-Backbone interact. energy: 2.488 local terms energy: -705.853164 where: bonds (distance) C4'-P energy: -118.193 bonds (distance) P-C4' energy: -129.180 flat angles C4'-P-C4' energy: -142.868 flat angles P-C4'-P energy: -97.985 tors. eta vs tors. theta energy: -217.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2355.387145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.387145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.387145 (E_RNA) where: Base-Base interactions energy: -1659.615 where: short stacking energy: -673.626 Base-Backbone interact. energy: -0.858 local terms energy: -694.914739 where: bonds (distance) C4'-P energy: -116.055 bonds (distance) P-C4' energy: -133.912 flat angles C4'-P-C4' energy: -136.141 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -208.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2104.003562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.003562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.003562 (E_RNA) where: Base-Base interactions energy: -1495.663 where: short stacking energy: -620.389 Base-Backbone interact. energy: 0.847 local terms energy: -609.187795 where: bonds (distance) C4'-P energy: -103.212 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -136.719 flat angles P-C4'-P energy: -89.080 tors. eta vs tors. theta energy: -187.781 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: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1787.463435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.463435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.463435 (E_RNA) where: Base-Base interactions energy: -1240.677 where: short stacking energy: -520.829 Base-Backbone interact. energy: -0.957 local terms energy: -545.829295 where: bonds (distance) C4'-P energy: -111.660 bonds (distance) P-C4' energy: -83.630 flat angles C4'-P-C4' energy: -128.725 flat angles P-C4'-P energy: -83.281 tors. eta vs tors. theta energy: -138.533 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: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1600.369777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.369777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.369777 (E_RNA) where: Base-Base interactions energy: -1076.146 where: short stacking energy: -449.901 Base-Backbone interact. energy: 3.607 local terms energy: -527.830583 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -126.696 flat angles C4'-P-C4' energy: -123.202 flat angles P-C4'-P energy: -74.572 tors. eta vs tors. theta energy: -98.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1471.685346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.685346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.685346 (E_RNA) where: Base-Base interactions energy: -1001.020 where: short stacking energy: -423.676 Base-Backbone interact. energy: -2.700 local terms energy: -467.965397 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -105.566 flat angles C4'-P-C4' energy: -109.941 flat angles P-C4'-P energy: -64.257 tors. eta vs tors. theta energy: -95.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1088.668372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.668372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.668372 (E_RNA) where: Base-Base interactions energy: -644.686 where: short stacking energy: -312.804 Base-Backbone interact. energy: -0.430 local terms energy: -443.552686 where: bonds (distance) C4'-P energy: -103.162 bonds (distance) P-C4' energy: -120.270 flat angles C4'-P-C4' energy: -111.128 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: -48.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2618.581576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.581576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.581576 (E_RNA) where: Base-Base interactions energy: -1854.262 where: short stacking energy: -752.341 Base-Backbone interact. energy: -2.860 local terms energy: -761.459074 where: bonds (distance) C4'-P energy: -135.800 bonds (distance) P-C4' energy: -127.198 flat angles C4'-P-C4' energy: -159.218 flat angles P-C4'-P energy: -115.274 tors. eta vs tors. theta energy: -223.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2532.321594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.321594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.321594 (E_RNA) where: Base-Base interactions energy: -1795.289 where: short stacking energy: -734.549 Base-Backbone interact. energy: -1.417 local terms energy: -735.616052 where: bonds (distance) C4'-P energy: -127.835 bonds (distance) P-C4' energy: -124.798 flat angles C4'-P-C4' energy: -164.118 flat angles P-C4'-P energy: -95.998 tors. eta vs tors. theta energy: -222.867 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: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2521.577028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.577028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.577028 (E_RNA) where: Base-Base interactions energy: -1803.780 where: short stacking energy: -733.438 Base-Backbone interact. energy: -0.388 local terms energy: -717.408699 where: bonds (distance) C4'-P energy: -129.255 bonds (distance) P-C4' energy: -107.977 flat angles C4'-P-C4' energy: -147.776 flat angles P-C4'-P energy: -109.595 tors. eta vs tors. theta energy: -222.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2460.133420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.133420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.133420 (E_RNA) where: Base-Base interactions energy: -1779.808 where: short stacking energy: -713.737 Base-Backbone interact. energy: -1.797 local terms energy: -678.527664 where: bonds (distance) C4'-P energy: -112.591 bonds (distance) P-C4' energy: -125.552 flat angles C4'-P-C4' energy: -142.909 flat angles P-C4'-P energy: -82.411 tors. eta vs tors. theta energy: -215.064 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: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2346.474425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.474425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.474425 (E_RNA) where: Base-Base interactions energy: -1654.285 where: short stacking energy: -683.170 Base-Backbone interact. energy: -0.216 local terms energy: -691.973826 where: bonds (distance) C4'-P energy: -86.569 bonds (distance) P-C4' energy: -132.871 flat angles C4'-P-C4' energy: -143.606 flat angles P-C4'-P energy: -115.469 tors. eta vs tors. theta energy: -213.458 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: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2093.489019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.489019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.489019 (E_RNA) where: Base-Base interactions energy: -1435.187 where: short stacking energy: -621.506 Base-Backbone interact. energy: 3.752 local terms energy: -662.054324 where: bonds (distance) C4'-P energy: -111.777 bonds (distance) P-C4' energy: -126.062 flat angles C4'-P-C4' energy: -152.067 flat angles P-C4'-P energy: -80.654 tors. eta vs tors. theta energy: -191.493 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: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1785.882716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.882716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.882716 (E_RNA) where: Base-Base interactions energy: -1228.573 where: short stacking energy: -512.933 Base-Backbone interact. energy: -0.802 local terms energy: -556.507621 where: bonds (distance) C4'-P energy: -123.120 bonds (distance) P-C4' energy: -109.170 flat angles C4'-P-C4' energy: -109.271 flat angles P-C4'-P energy: -87.898 tors. eta vs tors. theta energy: -127.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1627.096079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.096079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.096079 (E_RNA) where: Base-Base interactions energy: -1107.681 where: short stacking energy: -471.885 Base-Backbone interact. energy: -3.824 local terms energy: -515.591159 where: bonds (distance) C4'-P energy: -110.487 bonds (distance) P-C4' energy: -103.085 flat angles C4'-P-C4' energy: -116.945 flat angles P-C4'-P energy: -73.342 tors. eta vs tors. theta energy: -111.733 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: 139 Temperature: 1.300000 Total energy: -1472.312547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.312547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.312547 (E_RNA) where: Base-Base interactions energy: -981.559 where: short stacking energy: -436.638 Base-Backbone interact. energy: 1.378 local terms energy: -492.131286 where: bonds (distance) C4'-P energy: -109.418 bonds (distance) P-C4' energy: -121.138 flat angles C4'-P-C4' energy: -120.440 flat angles P-C4'-P energy: -40.492 tors. eta vs tors. theta energy: -100.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1148.785396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.785396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.785396 (E_RNA) where: Base-Base interactions energy: -707.554 where: short stacking energy: -331.966 Base-Backbone interact. energy: -2.227 local terms energy: -439.004181 where: bonds (distance) C4'-P energy: -112.080 bonds (distance) P-C4' energy: -114.848 flat angles C4'-P-C4' energy: -96.643 flat angles P-C4'-P energy: -68.301 tors. eta vs tors. theta energy: -47.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2651.154213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.154213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.154213 (E_RNA) where: Base-Base interactions energy: -1870.702 where: short stacking energy: -757.149 Base-Backbone interact. energy: -0.137 local terms energy: -780.315496 where: bonds (distance) C4'-P energy: -137.753 bonds (distance) P-C4' energy: -141.459 flat angles C4'-P-C4' energy: -156.209 flat angles P-C4'-P energy: -104.836 tors. eta vs tors. theta energy: -240.058 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: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2550.438211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.438211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.438211 (E_RNA) where: Base-Base interactions energy: -1802.155 where: short stacking energy: -753.345 Base-Backbone interact. energy: -0.250 local terms energy: -748.033043 where: bonds (distance) C4'-P energy: -118.432 bonds (distance) P-C4' energy: -129.966 flat angles C4'-P-C4' energy: -153.772 flat angles P-C4'-P energy: -116.364 tors. eta vs tors. theta energy: -229.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2523.307858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.307858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.307858 (E_RNA) where: Base-Base interactions energy: -1799.313 where: short stacking energy: -737.030 Base-Backbone interact. energy: 1.042 local terms energy: -725.036472 where: bonds (distance) C4'-P energy: -120.816 bonds (distance) P-C4' energy: -132.811 flat angles C4'-P-C4' energy: -159.117 flat angles P-C4'-P energy: -99.220 tors. eta vs tors. theta energy: -213.071 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: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2445.105866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.105866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.105866 (E_RNA) where: Base-Base interactions energy: -1743.640 where: short stacking energy: -696.619 Base-Backbone interact. energy: -0.274 local terms energy: -701.191175 where: bonds (distance) C4'-P energy: -116.008 bonds (distance) P-C4' energy: -122.403 flat angles C4'-P-C4' energy: -149.988 flat angles P-C4'-P energy: -107.510 tors. eta vs tors. theta energy: -205.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2134.303071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.303071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.303071 (E_RNA) where: Base-Base interactions energy: -1477.574 where: short stacking energy: -608.393 Base-Backbone interact. energy: -0.117 local terms energy: -656.612406 where: bonds (distance) C4'-P energy: -127.940 bonds (distance) P-C4' energy: -111.782 flat angles C4'-P-C4' energy: -140.829 flat angles P-C4'-P energy: -92.453 tors. eta vs tors. theta energy: -183.608 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: 140 Temperature: 1.150000 Total energy: -2321.666870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.666870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.666870 (E_RNA) where: Base-Base interactions energy: -1647.677 where: short stacking energy: -681.717 Base-Backbone interact. energy: 0.572 local terms energy: -674.561675 where: bonds (distance) C4'-P energy: -113.314 bonds (distance) P-C4' energy: -121.012 flat angles C4'-P-C4' energy: -142.612 flat angles P-C4'-P energy: -88.816 tors. eta vs tors. theta energy: -208.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1763.106653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.106653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.106653 (E_RNA) where: Base-Base interactions energy: -1212.524 where: short stacking energy: -513.271 Base-Backbone interact. energy: -1.287 local terms energy: -549.296229 where: bonds (distance) C4'-P energy: -102.255 bonds (distance) P-C4' energy: -109.438 flat angles C4'-P-C4' energy: -130.797 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -130.112 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: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1715.982394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.982394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.982394 (E_RNA) where: Base-Base interactions energy: -1142.050 where: short stacking energy: -519.467 Base-Backbone interact. energy: -1.245 local terms energy: -572.687476 where: bonds (distance) C4'-P energy: -112.835 bonds (distance) P-C4' energy: -116.234 flat angles C4'-P-C4' energy: -131.878 flat angles P-C4'-P energy: -88.009 tors. eta vs tors. theta energy: -123.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1516.921298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.921298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.921298 (E_RNA) where: Base-Base interactions energy: -971.457 where: short stacking energy: -420.170 Base-Backbone interact. energy: -1.968 local terms energy: -543.496275 where: bonds (distance) C4'-P energy: -110.518 bonds (distance) P-C4' energy: -131.216 flat angles C4'-P-C4' energy: -125.036 flat angles P-C4'-P energy: -78.447 tors. eta vs tors. theta energy: -98.279 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: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1150.419424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.419424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.419424 (E_RNA) where: Base-Base interactions energy: -729.972 where: short stacking energy: -332.940 Base-Backbone interact. energy: 1.502 local terms energy: -421.949173 where: bonds (distance) C4'-P energy: -105.249 bonds (distance) P-C4' energy: -106.043 flat angles C4'-P-C4' energy: -105.954 flat angles P-C4'-P energy: -56.053 tors. eta vs tors. theta energy: -48.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2643.941102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.941102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.941102 (E_RNA) where: Base-Base interactions energy: -1873.828 where: short stacking energy: -754.336 Base-Backbone interact. energy: 2.449 local terms energy: -772.561528 where: bonds (distance) C4'-P energy: -136.130 bonds (distance) P-C4' energy: -138.077 flat angles C4'-P-C4' energy: -160.650 flat angles P-C4'-P energy: -106.544 tors. eta vs tors. theta energy: -231.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2547.810402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.810402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.810402 (E_RNA) where: Base-Base interactions energy: -1798.493 where: short stacking energy: -744.033 Base-Backbone interact. energy: 0.767 local terms energy: -750.084105 where: bonds (distance) C4'-P energy: -117.067 bonds (distance) P-C4' energy: -135.416 flat angles C4'-P-C4' energy: -152.526 flat angles P-C4'-P energy: -111.632 tors. eta vs tors. theta energy: -233.444 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: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2513.102546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.102546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.102546 (E_RNA) where: Base-Base interactions energy: -1789.511 where: short stacking energy: -730.149 Base-Backbone interact. energy: -1.588 local terms energy: -722.004236 where: bonds (distance) C4'-P energy: -119.934 bonds (distance) P-C4' energy: -130.233 flat angles C4'-P-C4' energy: -155.991 flat angles P-C4'-P energy: -100.974 tors. eta vs tors. theta energy: -214.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2458.103410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.103410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.103410 (E_RNA) where: Base-Base interactions energy: -1757.638 where: short stacking energy: -682.124 Base-Backbone interact. energy: -2.705 local terms energy: -697.760216 where: bonds (distance) C4'-P energy: -114.807 bonds (distance) P-C4' energy: -113.514 flat angles C4'-P-C4' energy: -153.149 flat angles P-C4'-P energy: -95.736 tors. eta vs tors. theta energy: -220.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2123.516539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.516539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.516539 (E_RNA) where: Base-Base interactions energy: -1459.700 where: short stacking energy: -616.828 Base-Backbone interact. energy: 0.056 local terms energy: -663.872695 where: bonds (distance) C4'-P energy: -118.870 bonds (distance) P-C4' energy: -122.563 flat angles C4'-P-C4' energy: -151.422 flat angles P-C4'-P energy: -92.124 tors. eta vs tors. theta energy: -178.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2299.489459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.489459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.489459 (E_RNA) where: Base-Base interactions energy: -1641.387 where: short stacking energy: -644.026 Base-Backbone interact. energy: 3.216 local terms energy: -661.319336 where: bonds (distance) C4'-P energy: -127.214 bonds (distance) P-C4' energy: -116.174 flat angles C4'-P-C4' energy: -136.188 flat angles P-C4'-P energy: -77.842 tors. eta vs tors. theta energy: -203.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1763.282907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.282907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.282907 (E_RNA) where: Base-Base interactions energy: -1204.029 where: short stacking energy: -519.666 Base-Backbone interact. energy: -1.044 local terms energy: -558.209360 where: bonds (distance) C4'-P energy: -120.716 bonds (distance) P-C4' energy: -115.720 flat angles C4'-P-C4' energy: -131.704 flat angles P-C4'-P energy: -59.929 tors. eta vs tors. theta energy: -130.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1676.279310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.279310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.279310 (E_RNA) where: Base-Base interactions energy: -1114.237 where: short stacking energy: -490.043 Base-Backbone interact. energy: 0.432 local terms energy: -562.475068 where: bonds (distance) C4'-P energy: -123.104 bonds (distance) P-C4' energy: -106.974 flat angles C4'-P-C4' energy: -117.530 flat angles P-C4'-P energy: -92.035 tors. eta vs tors. theta energy: -122.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1447.078784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.078784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.078784 (E_RNA) where: Base-Base interactions energy: -934.955 where: short stacking energy: -416.183 Base-Backbone interact. energy: 4.277 local terms energy: -516.400346 where: bonds (distance) C4'-P energy: -120.067 bonds (distance) P-C4' energy: -100.258 flat angles C4'-P-C4' energy: -130.327 flat angles P-C4'-P energy: -64.526 tors. eta vs tors. theta energy: -101.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1113.016195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.016195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.016195 (E_RNA) where: Base-Base interactions energy: -713.604 where: short stacking energy: -316.812 Base-Backbone interact. energy: 3.980 local terms energy: -403.392824 where: bonds (distance) C4'-P energy: -94.635 bonds (distance) P-C4' energy: -94.795 flat angles C4'-P-C4' energy: -113.025 flat angles P-C4'-P energy: -53.138 tors. eta vs tors. theta energy: -47.801 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: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2647.275424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.275424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.275424 (E_RNA) where: Base-Base interactions energy: -1877.174 where: short stacking energy: -758.731 Base-Backbone interact. energy: -5.089 local terms energy: -765.012199 where: bonds (distance) C4'-P energy: -123.310 bonds (distance) P-C4' energy: -136.699 flat angles C4'-P-C4' energy: -160.898 flat angles P-C4'-P energy: -109.676 tors. eta vs tors. theta energy: -234.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2565.132158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.132158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.132158 (E_RNA) where: Base-Base interactions energy: -1796.623 where: short stacking energy: -754.650 Base-Backbone interact. energy: -1.108 local terms energy: -767.401510 where: bonds (distance) C4'-P energy: -128.567 bonds (distance) P-C4' energy: -154.716 flat angles C4'-P-C4' energy: -155.822 flat angles P-C4'-P energy: -107.576 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: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2531.128973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.128973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.128973 (E_RNA) where: Base-Base interactions energy: -1832.048 where: short stacking energy: -736.212 Base-Backbone interact. energy: 1.401 local terms energy: -700.482238 where: bonds (distance) C4'-P energy: -112.278 bonds (distance) P-C4' energy: -122.722 flat angles C4'-P-C4' energy: -145.937 flat angles P-C4'-P energy: -96.844 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: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2439.112453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.112453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.112453 (E_RNA) where: Base-Base interactions energy: -1753.054 where: short stacking energy: -731.266 Base-Backbone interact. energy: -1.237 local terms energy: -684.820509 where: bonds (distance) C4'-P energy: -108.473 bonds (distance) P-C4' energy: -111.029 flat angles C4'-P-C4' energy: -143.101 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -210.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2392.435942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.435942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.435942 (E_RNA) where: Base-Base interactions energy: -1698.800 where: short stacking energy: -696.220 Base-Backbone interact. energy: -1.743 local terms energy: -691.892818 where: bonds (distance) C4'-P energy: -124.131 bonds (distance) P-C4' energy: -127.606 flat angles C4'-P-C4' energy: -124.076 flat angles P-C4'-P energy: -101.949 tors. eta vs tors. theta energy: -214.131 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: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2105.526502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.526502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.526502 (E_RNA) where: Base-Base interactions energy: -1486.979 where: short stacking energy: -628.704 Base-Backbone interact. energy: -3.395 local terms energy: -615.153150 where: bonds (distance) C4'-P energy: -106.787 bonds (distance) P-C4' energy: -102.748 flat angles C4'-P-C4' energy: -131.683 flat angles P-C4'-P energy: -91.770 tors. eta vs tors. theta energy: -182.166 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: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1757.755718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.755718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.755718 (E_RNA) where: Base-Base interactions energy: -1192.112 where: short stacking energy: -507.966 Base-Backbone interact. energy: 1.003 local terms energy: -566.646813 where: bonds (distance) C4'-P energy: -111.712 bonds (distance) P-C4' energy: -110.241 flat angles C4'-P-C4' energy: -133.116 flat angles P-C4'-P energy: -78.824 tors. eta vs tors. theta energy: -132.754 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: 142 Temperature: 1.250000 Total energy: -1641.672061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.672061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.672061 (E_RNA) where: Base-Base interactions energy: -1129.014 where: short stacking energy: -492.033 Base-Backbone interact. energy: 0.739 local terms energy: -513.397044 where: bonds (distance) C4'-P energy: -98.630 bonds (distance) P-C4' energy: -116.058 flat angles C4'-P-C4' energy: -111.989 flat angles P-C4'-P energy: -66.086 tors. eta vs tors. theta energy: -120.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1429.143441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.143441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.143441 (E_RNA) where: Base-Base interactions energy: -929.545 where: short stacking energy: -403.776 Base-Backbone interact. energy: -2.767 local terms energy: -496.830853 where: bonds (distance) C4'-P energy: -99.893 bonds (distance) P-C4' energy: -110.264 flat angles C4'-P-C4' energy: -113.547 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -100.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1195.074331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.074331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.074331 (E_RNA) where: Base-Base interactions energy: -767.603 where: short stacking energy: -355.585 Base-Backbone interact. energy: 2.362 local terms energy: -429.833683 where: bonds (distance) C4'-P energy: -108.029 bonds (distance) P-C4' energy: -107.238 flat angles C4'-P-C4' energy: -94.098 flat angles P-C4'-P energy: -58.962 tors. eta vs tors. theta energy: -61.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2648.991399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.991399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.991399 (E_RNA) where: Base-Base interactions energy: -1875.210 where: short stacking energy: -765.001 Base-Backbone interact. energy: -3.340 local terms energy: -770.441651 where: bonds (distance) C4'-P energy: -140.497 bonds (distance) P-C4' energy: -135.914 flat angles C4'-P-C4' energy: -156.110 flat angles P-C4'-P energy: -109.071 tors. eta vs tors. theta energy: -228.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2551.643275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.643275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.643275 (E_RNA) where: Base-Base interactions energy: -1797.474 where: short stacking energy: -754.909 Base-Backbone interact. energy: -2.101 local terms energy: -752.068346 where: bonds (distance) C4'-P energy: -127.421 bonds (distance) P-C4' energy: -130.816 flat angles C4'-P-C4' energy: -157.130 flat angles P-C4'-P energy: -105.130 tors. eta vs tors. theta energy: -231.571 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: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2538.916698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.916698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.916698 (E_RNA) where: Base-Base interactions energy: -1820.607 where: short stacking energy: -715.334 Base-Backbone interact. energy: -1.499 local terms energy: -716.810597 where: bonds (distance) C4'-P energy: -121.828 bonds (distance) P-C4' energy: -108.755 flat angles C4'-P-C4' energy: -150.964 flat angles P-C4'-P energy: -112.202 tors. eta vs tors. theta energy: -223.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2454.393867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.393867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.393867 (E_RNA) where: Base-Base interactions energy: -1788.584 where: short stacking energy: -707.738 Base-Backbone interact. energy: -2.107 local terms energy: -663.703179 where: bonds (distance) C4'-P energy: -108.965 bonds (distance) P-C4' energy: -112.172 flat angles C4'-P-C4' energy: -145.513 flat angles P-C4'-P energy: -94.610 tors. eta vs tors. theta energy: -202.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2380.348892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.348892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.348892 (E_RNA) where: Base-Base interactions energy: -1650.936 where: short stacking energy: -710.830 Base-Backbone interact. energy: 1.756 local terms energy: -731.168886 where: bonds (distance) C4'-P energy: -135.420 bonds (distance) P-C4' energy: -125.354 flat angles C4'-P-C4' energy: -157.377 flat angles P-C4'-P energy: -103.833 tors. eta vs tors. theta energy: -209.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2154.445145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.445145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.445145 (E_RNA) where: Base-Base interactions energy: -1508.072 where: short stacking energy: -604.195 Base-Backbone interact. energy: -2.873 local terms energy: -643.500045 where: bonds (distance) C4'-P energy: -100.266 bonds (distance) P-C4' energy: -129.879 flat angles C4'-P-C4' energy: -142.862 flat angles P-C4'-P energy: -87.468 tors. eta vs tors. theta energy: -183.025 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: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1785.798447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.798447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.798447 (E_RNA) where: Base-Base interactions energy: -1223.741 where: short stacking energy: -530.745 Base-Backbone interact. energy: 0.409 local terms energy: -562.466650 where: bonds (distance) C4'-P energy: -88.607 bonds (distance) P-C4' energy: -116.613 flat angles C4'-P-C4' energy: -122.000 flat angles P-C4'-P energy: -84.532 tors. eta vs tors. theta energy: -150.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1664.364823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.364823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.364823 (E_RNA) where: Base-Base interactions energy: -1102.349 where: short stacking energy: -489.091 Base-Backbone interact. energy: 0.897 local terms energy: -562.912853 where: bonds (distance) C4'-P energy: -114.739 bonds (distance) P-C4' energy: -115.096 flat angles C4'-P-C4' energy: -127.894 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -126.815 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: 9, replica: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1393.626796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.626796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.626796 (E_RNA) where: Base-Base interactions energy: -903.104 where: short stacking energy: -420.087 Base-Backbone interact. energy: 0.158 local terms energy: -490.680563 where: bonds (distance) C4'-P energy: -88.396 bonds (distance) P-C4' energy: -130.586 flat angles C4'-P-C4' energy: -121.374 flat angles P-C4'-P energy: -60.845 tors. eta vs tors. theta energy: -89.479 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: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1193.317603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.317603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.317603 (E_RNA) where: Base-Base interactions energy: -773.455 where: short stacking energy: -342.238 Base-Backbone interact. energy: 2.594 local terms energy: -422.456686 where: bonds (distance) C4'-P energy: -100.394 bonds (distance) P-C4' energy: -109.012 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -54.168 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: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2644.202761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.202761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.202761 (E_RNA) where: Base-Base interactions energy: -1882.880 where: short stacking energy: -759.513 Base-Backbone interact. energy: -3.439 local terms energy: -757.883729 where: bonds (distance) C4'-P energy: -132.891 bonds (distance) P-C4' energy: -120.630 flat angles C4'-P-C4' energy: -159.801 flat angles P-C4'-P energy: -106.903 tors. eta vs tors. theta energy: -237.658 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: 144 Temperature: 0.950000 Total energy: -2568.992958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.992958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.992958 (E_RNA) where: Base-Base interactions energy: -1807.551 where: short stacking energy: -757.623 Base-Backbone interact. energy: -1.556 local terms energy: -759.886204 where: bonds (distance) C4'-P energy: -134.615 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -149.606 flat angles P-C4'-P energy: -118.044 tors. eta vs tors. theta energy: -227.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2567.399834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.399834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.399834 (E_RNA) where: Base-Base interactions energy: -1848.385 where: short stacking energy: -735.516 Base-Backbone interact. energy: -1.609 local terms energy: -717.405035 where: bonds (distance) C4'-P energy: -130.457 bonds (distance) P-C4' energy: -113.744 flat angles C4'-P-C4' energy: -148.495 flat angles P-C4'-P energy: -101.465 tors. eta vs tors. theta energy: -223.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2470.781266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.781266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.781266 (E_RNA) where: Base-Base interactions energy: -1789.550 where: short stacking energy: -724.234 Base-Backbone interact. energy: -2.556 local terms energy: -678.675163 where: bonds (distance) C4'-P energy: -126.148 bonds (distance) P-C4' energy: -113.064 flat angles C4'-P-C4' energy: -132.449 flat angles P-C4'-P energy: -95.534 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: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2376.969271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.969271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.969271 (E_RNA) where: Base-Base interactions energy: -1660.821 where: short stacking energy: -666.076 Base-Backbone interact. energy: -1.584 local terms energy: -714.563713 where: bonds (distance) C4'-P energy: -130.114 bonds (distance) P-C4' energy: -131.275 flat angles C4'-P-C4' energy: -140.339 flat angles P-C4'-P energy: -108.602 tors. eta vs tors. theta energy: -204.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2156.411211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.411211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.411211 (E_RNA) where: Base-Base interactions energy: -1533.437 where: short stacking energy: -633.389 Base-Backbone interact. energy: -2.793 local terms energy: -620.181970 where: bonds (distance) C4'-P energy: -104.659 bonds (distance) P-C4' energy: -114.002 flat angles C4'-P-C4' energy: -131.444 flat angles P-C4'-P energy: -87.948 tors. eta vs tors. theta energy: -182.128 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: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1750.028114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.028114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.028114 (E_RNA) where: Base-Base interactions energy: -1186.691 where: short stacking energy: -506.919 Base-Backbone interact. energy: -1.745 local terms energy: -561.591985 where: bonds (distance) C4'-P energy: -119.172 bonds (distance) P-C4' energy: -127.877 flat angles C4'-P-C4' energy: -115.461 flat angles P-C4'-P energy: -70.760 tors. eta vs tors. theta energy: -128.323 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: 144 Temperature: 1.250000 Total energy: -1677.754603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.754603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.754603 (E_RNA) where: Base-Base interactions energy: -1133.994 where: short stacking energy: -489.892 Base-Backbone interact. energy: -0.091 local terms energy: -543.669718 where: bonds (distance) C4'-P energy: -110.923 bonds (distance) P-C4' energy: -120.423 flat angles C4'-P-C4' energy: -112.893 flat angles P-C4'-P energy: -62.035 tors. eta vs tors. theta energy: -137.396 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: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1439.511070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.511070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.511070 (E_RNA) where: Base-Base interactions energy: -954.583 where: short stacking energy: -390.300 Base-Backbone interact. energy: 2.629 local terms energy: -487.556470 where: bonds (distance) C4'-P energy: -114.445 bonds (distance) P-C4' energy: -110.485 flat angles C4'-P-C4' energy: -114.522 flat angles P-C4'-P energy: -61.677 tors. eta vs tors. theta energy: -86.427 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: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1152.186797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.186797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.186797 (E_RNA) where: Base-Base interactions energy: -720.081 where: short stacking energy: -339.621 Base-Backbone interact. energy: 0.554 local terms energy: -432.660094 where: bonds (distance) C4'-P energy: -114.316 bonds (distance) P-C4' energy: -97.051 flat angles C4'-P-C4' energy: -110.542 flat angles P-C4'-P energy: -60.115 tors. eta vs tors. theta energy: -50.637 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: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2630.982220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.982220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.982220 (E_RNA) where: Base-Base interactions energy: -1881.844 where: short stacking energy: -756.447 Base-Backbone interact. energy: -5.571 local terms energy: -743.566722 where: bonds (distance) C4'-P energy: -123.912 bonds (distance) P-C4' energy: -123.703 flat angles C4'-P-C4' energy: -157.958 flat angles P-C4'-P energy: -108.459 tors. eta vs tors. theta energy: -229.535 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: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2570.254274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.254274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.254274 (E_RNA) where: Base-Base interactions energy: -1825.854 where: short stacking energy: -715.758 Base-Backbone interact. energy: -1.055 local terms energy: -743.345365 where: bonds (distance) C4'-P energy: -136.982 bonds (distance) P-C4' energy: -125.065 flat angles C4'-P-C4' energy: -156.304 flat angles P-C4'-P energy: -105.342 tors. eta vs tors. theta energy: -219.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2521.759064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.759064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.759064 (E_RNA) where: Base-Base interactions energy: -1764.321 where: short stacking energy: -735.248 Base-Backbone interact. energy: -1.281 local terms energy: -756.157106 where: bonds (distance) C4'-P energy: -126.005 bonds (distance) P-C4' energy: -128.322 flat angles C4'-P-C4' energy: -163.365 flat angles P-C4'-P energy: -115.886 tors. eta vs tors. theta energy: -222.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2453.409682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.409682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.409682 (E_RNA) where: Base-Base interactions energy: -1736.457 where: short stacking energy: -718.742 Base-Backbone interact. energy: 0.001 local terms energy: -716.953959 where: bonds (distance) C4'-P energy: -122.964 bonds (distance) P-C4' energy: -128.870 flat angles C4'-P-C4' energy: -152.811 flat angles P-C4'-P energy: -94.920 tors. eta vs tors. theta energy: -217.389 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2394.083120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.083120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.083120 (E_RNA) where: Base-Base interactions energy: -1708.179 where: short stacking energy: -701.959 Base-Backbone interact. energy: 0.037 local terms energy: -685.940316 where: bonds (distance) C4'-P energy: -117.495 bonds (distance) P-C4' energy: -109.164 flat angles C4'-P-C4' energy: -147.065 flat angles P-C4'-P energy: -95.565 tors. eta vs tors. theta energy: -216.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2195.974627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.974627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.974627 (E_RNA) where: Base-Base interactions energy: -1556.826 where: short stacking energy: -621.508 Base-Backbone interact. energy: -3.951 local terms energy: -635.197743 where: bonds (distance) C4'-P energy: -108.238 bonds (distance) P-C4' energy: -100.801 flat angles C4'-P-C4' energy: -141.052 flat angles P-C4'-P energy: -87.824 tors. eta vs tors. theta energy: -197.283 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: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1690.257974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.257974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.257974 (E_RNA) where: Base-Base interactions energy: -1127.010 where: short stacking energy: -464.173 Base-Backbone interact. energy: 3.974 local terms energy: -567.221423 where: bonds (distance) C4'-P energy: -122.231 bonds (distance) P-C4' energy: -108.407 flat angles C4'-P-C4' energy: -140.462 flat angles P-C4'-P energy: -77.326 tors. eta vs tors. theta energy: -118.796 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: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1759.908486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.908486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.908486 (E_RNA) where: Base-Base interactions energy: -1183.135 where: short stacking energy: -504.870 Base-Backbone interact. energy: -2.172 local terms energy: -574.601284 where: bonds (distance) C4'-P energy: -115.284 bonds (distance) P-C4' energy: -114.266 flat angles C4'-P-C4' energy: -122.490 flat angles P-C4'-P energy: -92.495 tors. eta vs tors. theta energy: -130.067 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: 145 Temperature: 1.300000 Total energy: -1484.254376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.254376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.254376 (E_RNA) where: Base-Base interactions energy: -975.424 where: short stacking energy: -426.050 Base-Backbone interact. energy: -2.219 local terms energy: -506.610779 where: bonds (distance) C4'-P energy: -115.078 bonds (distance) P-C4' energy: -112.272 flat angles C4'-P-C4' energy: -103.415 flat angles P-C4'-P energy: -71.001 tors. eta vs tors. theta energy: -104.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1169.817170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.817170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.817170 (E_RNA) where: Base-Base interactions energy: -737.643 where: short stacking energy: -328.273 Base-Backbone interact. energy: 0.739 local terms energy: -432.913276 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -95.597 flat angles C4'-P-C4' energy: -128.886 flat angles P-C4'-P energy: -72.180 tors. eta vs tors. theta energy: -57.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2627.521526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.521526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.521526 (E_RNA) where: Base-Base interactions energy: -1887.315 where: short stacking energy: -767.952 Base-Backbone interact. energy: 1.242 local terms energy: -741.448581 where: bonds (distance) C4'-P energy: -127.106 bonds (distance) P-C4' energy: -128.589 flat angles C4'-P-C4' energy: -158.268 flat angles P-C4'-P energy: -104.353 tors. eta vs tors. theta energy: -223.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2574.075369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.075369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.075369 (E_RNA) where: Base-Base interactions energy: -1830.305 where: short stacking energy: -729.809 Base-Backbone interact. energy: -1.698 local terms energy: -742.072815 where: bonds (distance) C4'-P energy: -112.744 bonds (distance) P-C4' energy: -134.616 flat angles C4'-P-C4' energy: -158.585 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -223.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2495.160747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.160747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.160747 (E_RNA) where: Base-Base interactions energy: -1773.047 where: short stacking energy: -751.082 Base-Backbone interact. energy: -1.423 local terms energy: -720.690259 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -127.110 flat angles C4'-P-C4' energy: -149.417 flat angles P-C4'-P energy: -104.237 tors. eta vs tors. theta energy: -223.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2460.033877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.033877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.033877 (E_RNA) where: Base-Base interactions energy: -1752.878 where: short stacking energy: -727.851 Base-Backbone interact. energy: -3.039 local terms energy: -704.116405 where: bonds (distance) C4'-P energy: -114.439 bonds (distance) P-C4' energy: -121.425 flat angles C4'-P-C4' energy: -156.117 flat angles P-C4'-P energy: -93.491 tors. eta vs tors. theta energy: -218.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2410.838169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.838169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.838169 (E_RNA) where: Base-Base interactions energy: -1700.491 where: short stacking energy: -706.729 Base-Backbone interact. energy: 1.441 local terms energy: -711.787862 where: bonds (distance) C4'-P energy: -123.982 bonds (distance) P-C4' energy: -127.806 flat angles C4'-P-C4' energy: -144.109 flat angles P-C4'-P energy: -104.598 tors. eta vs tors. theta energy: -211.292 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: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2096.915664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.915664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.915664 (E_RNA) where: Base-Base interactions energy: -1466.637 where: short stacking energy: -613.017 Base-Backbone interact. energy: -1.360 local terms energy: -628.918583 where: bonds (distance) C4'-P energy: -110.029 bonds (distance) P-C4' energy: -118.907 flat angles C4'-P-C4' energy: -136.287 flat angles P-C4'-P energy: -96.730 tors. eta vs tors. theta energy: -166.966 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: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1837.967086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.967086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.967086 (E_RNA) where: Base-Base interactions energy: -1250.090 where: short stacking energy: -541.328 Base-Backbone interact. energy: 0.398 local terms energy: -588.275246 where: bonds (distance) C4'-P energy: -113.730 bonds (distance) P-C4' energy: -113.213 flat angles C4'-P-C4' energy: -132.204 flat angles P-C4'-P energy: -87.427 tors. eta vs tors. theta energy: -141.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1586.256053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.256053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.256053 (E_RNA) where: Base-Base interactions energy: -1053.158 where: short stacking energy: -456.748 Base-Backbone interact. energy: -0.713 local terms energy: -532.385039 where: bonds (distance) C4'-P energy: -125.469 bonds (distance) P-C4' energy: -100.986 flat angles C4'-P-C4' energy: -123.337 flat angles P-C4'-P energy: -72.974 tors. eta vs tors. theta energy: -109.620 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: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1425.126689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.126689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.126689 (E_RNA) where: Base-Base interactions energy: -946.823 where: short stacking energy: -405.419 Base-Backbone interact. energy: -0.622 local terms energy: -477.681176 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -114.283 flat angles C4'-P-C4' energy: -108.938 flat angles P-C4'-P energy: -60.079 tors. eta vs tors. theta energy: -84.340 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: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1145.730507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.730507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.730507 (E_RNA) where: Base-Base interactions energy: -718.463 where: short stacking energy: -312.034 Base-Backbone interact. energy: -1.054 local terms energy: -426.213272 where: bonds (distance) C4'-P energy: -101.325 bonds (distance) P-C4' energy: -114.180 flat angles C4'-P-C4' energy: -92.159 flat angles P-C4'-P energy: -63.210 tors. eta vs tors. theta energy: -55.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2617.927850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.927850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.927850 (E_RNA) where: Base-Base interactions energy: -1857.451 where: short stacking energy: -745.041 Base-Backbone interact. energy: -4.030 local terms energy: -756.447273 where: bonds (distance) C4'-P energy: -132.230 bonds (distance) P-C4' energy: -123.856 flat angles C4'-P-C4' energy: -154.224 flat angles P-C4'-P energy: -114.749 tors. eta vs tors. theta energy: -231.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2584.341706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.341706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.341706 (E_RNA) where: Base-Base interactions energy: -1829.712 where: short stacking energy: -738.372 Base-Backbone interact. energy: -0.618 local terms energy: -754.011981 where: bonds (distance) C4'-P energy: -142.150 bonds (distance) P-C4' energy: -116.954 flat angles C4'-P-C4' energy: -158.071 flat angles P-C4'-P energy: -104.539 tors. eta vs tors. theta energy: -232.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2472.318455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.318455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.318455 (E_RNA) where: Base-Base interactions energy: -1738.269 where: short stacking energy: -699.520 Base-Backbone interact. energy: -2.245 local terms energy: -731.804580 where: bonds (distance) C4'-P energy: -128.979 bonds (distance) P-C4' energy: -130.693 flat angles C4'-P-C4' energy: -161.475 flat angles P-C4'-P energy: -91.092 tors. eta vs tors. theta energy: -219.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2465.875988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.875988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.875988 (E_RNA) where: Base-Base interactions energy: -1752.634 where: short stacking energy: -703.593 Base-Backbone interact. energy: -2.412 local terms energy: -710.830307 where: bonds (distance) C4'-P energy: -116.610 bonds (distance) P-C4' energy: -138.666 flat angles C4'-P-C4' energy: -159.362 flat angles P-C4'-P energy: -84.999 tors. eta vs tors. theta energy: -211.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2370.455909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.455909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.455909 (E_RNA) where: Base-Base interactions energy: -1665.342 where: short stacking energy: -709.483 Base-Backbone interact. energy: -2.348 local terms energy: -702.766238 where: bonds (distance) C4'-P energy: -119.460 bonds (distance) P-C4' energy: -127.851 flat angles C4'-P-C4' energy: -154.711 flat angles P-C4'-P energy: -89.796 tors. eta vs tors. theta energy: -210.948 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: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2103.580105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.580105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.580105 (E_RNA) where: Base-Base interactions energy: -1455.235 where: short stacking energy: -612.665 Base-Backbone interact. energy: 1.653 local terms energy: -649.998409 where: bonds (distance) C4'-P energy: -131.198 bonds (distance) P-C4' energy: -111.016 flat angles C4'-P-C4' energy: -142.378 flat angles P-C4'-P energy: -87.029 tors. eta vs tors. theta energy: -178.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1842.648885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.648885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.648885 (E_RNA) where: Base-Base interactions energy: -1249.946 where: short stacking energy: -551.139 Base-Backbone interact. energy: 1.061 local terms energy: -593.764370 where: bonds (distance) C4'-P energy: -92.234 bonds (distance) P-C4' energy: -114.269 flat angles C4'-P-C4' energy: -143.745 flat angles P-C4'-P energy: -95.513 tors. eta vs tors. theta energy: -148.004 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: 8, replica: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1539.497858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.497858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.497858 (E_RNA) where: Base-Base interactions energy: -1026.409 where: short stacking energy: -439.755 Base-Backbone interact. energy: -1.549 local terms energy: -511.539847 where: bonds (distance) C4'-P energy: -120.909 bonds (distance) P-C4' energy: -109.154 flat angles C4'-P-C4' energy: -123.778 flat angles P-C4'-P energy: -69.497 tors. eta vs tors. theta energy: -88.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1395.260458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.260458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.260458 (E_RNA) where: Base-Base interactions energy: -953.460 where: short stacking energy: -415.328 Base-Backbone interact. energy: 1.395 local terms energy: -443.195284 where: bonds (distance) C4'-P energy: -87.074 bonds (distance) P-C4' energy: -106.166 flat angles C4'-P-C4' energy: -96.203 flat angles P-C4'-P energy: -73.361 tors. eta vs tors. theta energy: -80.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1112.536311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.536311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.536311 (E_RNA) where: Base-Base interactions energy: -714.425 where: short stacking energy: -308.110 Base-Backbone interact. energy: -1.363 local terms energy: -396.748907 where: bonds (distance) C4'-P energy: -81.077 bonds (distance) P-C4' energy: -101.291 flat angles C4'-P-C4' energy: -94.117 flat angles P-C4'-P energy: -72.925 tors. eta vs tors. theta energy: -47.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2633.070684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.070684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.070684 (E_RNA) where: Base-Base interactions energy: -1870.814 where: short stacking energy: -739.997 Base-Backbone interact. energy: -2.397 local terms energy: -759.859974 where: bonds (distance) C4'-P energy: -134.842 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -154.578 flat angles P-C4'-P energy: -110.391 tors. eta vs tors. theta energy: -221.099 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: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2600.341274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.341274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.341274 (E_RNA) where: Base-Base interactions energy: -1856.833 where: short stacking energy: -757.390 Base-Backbone interact. energy: -3.262 local terms energy: -740.246854 where: bonds (distance) C4'-P energy: -125.971 bonds (distance) P-C4' energy: -134.999 flat angles C4'-P-C4' energy: -155.098 flat angles P-C4'-P energy: -103.102 tors. eta vs tors. theta energy: -221.077 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: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2492.040043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.040043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.040043 (E_RNA) where: Base-Base interactions energy: -1763.310 where: short stacking energy: -728.578 Base-Backbone interact. energy: -1.561 local terms energy: -727.168901 where: bonds (distance) C4'-P energy: -120.766 bonds (distance) P-C4' energy: -136.405 flat angles C4'-P-C4' energy: -151.021 flat angles P-C4'-P energy: -95.958 tors. eta vs tors. theta energy: -223.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2472.984293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.984293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.984293 (E_RNA) where: Base-Base interactions energy: -1736.999 where: short stacking energy: -713.775 Base-Backbone interact. energy: 1.226 local terms energy: -737.211225 where: bonds (distance) C4'-P energy: -125.491 bonds (distance) P-C4' energy: -125.549 flat angles C4'-P-C4' energy: -157.913 flat angles P-C4'-P energy: -104.432 tors. eta vs tors. theta energy: -223.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2328.825062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.825062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.825062 (E_RNA) where: Base-Base interactions energy: -1637.740 where: short stacking energy: -687.098 Base-Backbone interact. energy: -1.731 local terms energy: -689.353264 where: bonds (distance) C4'-P energy: -118.820 bonds (distance) P-C4' energy: -114.292 flat angles C4'-P-C4' energy: -145.974 flat angles P-C4'-P energy: -100.767 tors. eta vs tors. theta energy: -209.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2150.592842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.592842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.592842 (E_RNA) where: Base-Base interactions energy: -1504.422 where: short stacking energy: -622.704 Base-Backbone interact. energy: -3.061 local terms energy: -643.109446 where: bonds (distance) C4'-P energy: -104.565 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -145.271 flat angles P-C4'-P energy: -85.591 tors. eta vs tors. theta energy: -181.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1820.201998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.201998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.201998 (E_RNA) where: Base-Base interactions energy: -1241.662 where: short stacking energy: -524.291 Base-Backbone interact. energy: -1.903 local terms energy: -576.636589 where: bonds (distance) C4'-P energy: -101.593 bonds (distance) P-C4' energy: -124.927 flat angles C4'-P-C4' energy: -127.785 flat angles P-C4'-P energy: -82.258 tors. eta vs tors. theta energy: -140.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1610.173522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.173522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.173522 (E_RNA) where: Base-Base interactions energy: -1091.684 where: short stacking energy: -464.091 Base-Backbone interact. energy: -0.326 local terms energy: -518.163352 where: bonds (distance) C4'-P energy: -96.440 bonds (distance) P-C4' energy: -126.511 flat angles C4'-P-C4' energy: -112.114 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -111.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1440.559333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.559333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.559333 (E_RNA) where: Base-Base interactions energy: -966.198 where: short stacking energy: -429.184 Base-Backbone interact. energy: -1.732 local terms energy: -472.629640 where: bonds (distance) C4'-P energy: -87.064 bonds (distance) P-C4' energy: -121.677 flat angles C4'-P-C4' energy: -108.388 flat angles P-C4'-P energy: -71.160 tors. eta vs tors. theta energy: -84.340 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: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1117.708722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.708722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.708722 (E_RNA) where: Base-Base interactions energy: -725.837 where: short stacking energy: -323.699 Base-Backbone interact. energy: -2.218 local terms energy: -389.653335 where: bonds (distance) C4'-P energy: -127.460 bonds (distance) P-C4' energy: -90.138 flat angles C4'-P-C4' energy: -89.645 flat angles P-C4'-P energy: -38.515 tors. eta vs tors. theta energy: -43.896 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: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2629.475464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.475464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.475464 (E_RNA) where: Base-Base interactions energy: -1832.544 where: short stacking energy: -749.064 Base-Backbone interact. energy: -1.634 local terms energy: -795.296997 where: bonds (distance) C4'-P energy: -155.354 bonds (distance) P-C4' energy: -141.715 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -111.136 tors. eta vs tors. theta energy: -233.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2582.243790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.243790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.243790 (E_RNA) where: Base-Base interactions energy: -1851.193 where: short stacking energy: -724.272 Base-Backbone interact. energy: 0.475 local terms energy: -731.525617 where: bonds (distance) C4'-P energy: -131.889 bonds (distance) P-C4' energy: -128.231 flat angles C4'-P-C4' energy: -143.962 flat angles P-C4'-P energy: -99.454 tors. eta vs tors. theta energy: -227.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2462.779300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.779300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.779300 (E_RNA) where: Base-Base interactions energy: -1759.613 where: short stacking energy: -721.586 Base-Backbone interact. energy: -0.301 local terms energy: -702.865702 where: bonds (distance) C4'-P energy: -125.248 bonds (distance) P-C4' energy: -116.785 flat angles C4'-P-C4' energy: -148.033 flat angles P-C4'-P energy: -96.254 tors. eta vs tors. theta energy: -216.545 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: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2471.925993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.925993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.925993 (E_RNA) where: Base-Base interactions energy: -1764.861 where: short stacking energy: -731.647 Base-Backbone interact. energy: 2.105 local terms energy: -709.169943 where: bonds (distance) C4'-P energy: -121.838 bonds (distance) P-C4' energy: -138.656 flat angles C4'-P-C4' energy: -141.727 flat angles P-C4'-P energy: -85.893 tors. eta vs tors. theta energy: -221.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2368.617621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.617621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.617621 (E_RNA) where: Base-Base interactions energy: -1665.492 where: short stacking energy: -679.163 Base-Backbone interact. energy: 0.006 local terms energy: -703.131201 where: bonds (distance) C4'-P energy: -121.810 bonds (distance) P-C4' energy: -113.479 flat angles C4'-P-C4' energy: -155.372 flat angles P-C4'-P energy: -100.593 tors. eta vs tors. theta energy: -211.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2110.501347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.501347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.501347 (E_RNA) where: Base-Base interactions energy: -1483.902 where: short stacking energy: -617.745 Base-Backbone interact. energy: -0.088 local terms energy: -626.510899 where: bonds (distance) C4'-P energy: -126.402 bonds (distance) P-C4' energy: -85.257 flat angles C4'-P-C4' energy: -136.489 flat angles P-C4'-P energy: -101.376 tors. eta vs tors. theta energy: -176.988 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: 149 Temperature: 1.200000 Total energy: -1805.471535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.471535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.471535 (E_RNA) where: Base-Base interactions energy: -1243.397 where: short stacking energy: -558.444 Base-Backbone interact. energy: -1.645 local terms energy: -560.429992 where: bonds (distance) C4'-P energy: -114.231 bonds (distance) P-C4' energy: -114.272 flat angles C4'-P-C4' energy: -118.331 flat angles P-C4'-P energy: -67.567 tors. eta vs tors. theta energy: -146.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1654.524220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.524220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.524220 (E_RNA) where: Base-Base interactions energy: -1168.794 where: short stacking energy: -484.065 Base-Backbone interact. energy: 1.458 local terms energy: -487.187983 where: bonds (distance) C4'-P energy: -96.682 bonds (distance) P-C4' energy: -103.256 flat angles C4'-P-C4' energy: -116.968 flat angles P-C4'-P energy: -54.862 tors. eta vs tors. theta energy: -115.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1480.462208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.462208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.462208 (E_RNA) where: Base-Base interactions energy: -1020.393 where: short stacking energy: -441.464 Base-Backbone interact. energy: 3.332 local terms energy: -463.401045 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -106.373 flat angles C4'-P-C4' energy: -101.468 flat angles P-C4'-P energy: -76.376 tors. eta vs tors. theta energy: -79.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1132.447656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.447656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.447656 (E_RNA) where: Base-Base interactions energy: -659.748 where: short stacking energy: -324.516 Base-Backbone interact. energy: 0.469 local terms energy: -473.169142 where: bonds (distance) C4'-P energy: -94.650 bonds (distance) P-C4' energy: -113.100 flat angles C4'-P-C4' energy: -113.940 flat angles P-C4'-P energy: -83.673 tors. eta vs tors. theta energy: -67.807 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: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2630.499888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.499888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.499888 (E_RNA) where: Base-Base interactions energy: -1862.787 where: short stacking energy: -740.085 Base-Backbone interact. energy: -2.187 local terms energy: -765.526099 where: bonds (distance) C4'-P energy: -139.179 bonds (distance) P-C4' energy: -137.022 flat angles C4'-P-C4' energy: -156.476 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -233.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2577.449031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.449031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.449031 (E_RNA) where: Base-Base interactions energy: -1836.101 where: short stacking energy: -740.801 Base-Backbone interact. energy: 4.979 local terms energy: -746.326674 where: bonds (distance) C4'-P energy: -136.744 bonds (distance) P-C4' energy: -131.667 flat angles C4'-P-C4' energy: -158.701 flat angles P-C4'-P energy: -97.247 tors. eta vs tors. theta energy: -221.968 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: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2541.655464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.655464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.655464 (E_RNA) where: Base-Base interactions energy: -1778.904 where: short stacking energy: -720.022 Base-Backbone interact. energy: -2.232 local terms energy: -760.519245 where: bonds (distance) C4'-P energy: -127.756 bonds (distance) P-C4' energy: -144.419 flat angles C4'-P-C4' energy: -157.631 flat angles P-C4'-P energy: -105.471 tors. eta vs tors. theta energy: -225.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2423.315648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.315648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.315648 (E_RNA) where: Base-Base interactions energy: -1727.901 where: short stacking energy: -702.293 Base-Backbone interact. energy: -1.696 local terms energy: -693.718556 where: bonds (distance) C4'-P energy: -115.147 bonds (distance) P-C4' energy: -121.770 flat angles C4'-P-C4' energy: -141.642 flat angles P-C4'-P energy: -103.657 tors. eta vs tors. theta energy: -211.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2380.347177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.347177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.347177 (E_RNA) where: Base-Base interactions energy: -1685.768 where: short stacking energy: -695.297 Base-Backbone interact. energy: -1.568 local terms energy: -693.010953 where: bonds (distance) C4'-P energy: -111.804 bonds (distance) P-C4' energy: -118.726 flat angles C4'-P-C4' energy: -149.449 flat angles P-C4'-P energy: -93.021 tors. eta vs tors. theta energy: -220.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2195.792790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.792790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.792790 (E_RNA) where: Base-Base interactions energy: -1576.441 where: short stacking energy: -657.403 Base-Backbone interact. energy: -0.964 local terms energy: -618.387727 where: bonds (distance) C4'-P energy: -114.492 bonds (distance) P-C4' energy: -98.196 flat angles C4'-P-C4' energy: -132.571 flat angles P-C4'-P energy: -72.336 tors. eta vs tors. theta energy: -200.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1825.277798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.277798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.277798 (E_RNA) where: Base-Base interactions energy: -1240.423 where: short stacking energy: -542.811 Base-Backbone interact. energy: -3.220 local terms energy: -581.634868 where: bonds (distance) C4'-P energy: -106.991 bonds (distance) P-C4' energy: -95.204 flat angles C4'-P-C4' energy: -134.856 flat angles P-C4'-P energy: -75.860 tors. eta vs tors. theta energy: -168.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1679.748597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.748597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.748597 (E_RNA) where: Base-Base interactions energy: -1145.823 where: short stacking energy: -486.624 Base-Backbone interact. energy: -1.517 local terms energy: -532.408768 where: bonds (distance) C4'-P energy: -107.765 bonds (distance) P-C4' energy: -108.455 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -80.712 tors. eta vs tors. theta energy: -127.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1505.215197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.215197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.215197 (E_RNA) where: Base-Base interactions energy: -1017.246 where: short stacking energy: -422.437 Base-Backbone interact. energy: 1.992 local terms energy: -489.961538 where: bonds (distance) C4'-P energy: -94.833 bonds (distance) P-C4' energy: -114.926 flat angles C4'-P-C4' energy: -129.513 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: -86.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1133.337794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.337794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.337794 (E_RNA) where: Base-Base interactions energy: -707.577 where: short stacking energy: -306.713 Base-Backbone interact. energy: -0.095 local terms energy: -425.665243 where: bonds (distance) C4'-P energy: -78.948 bonds (distance) P-C4' energy: -105.257 flat angles C4'-P-C4' energy: -115.744 flat angles P-C4'-P energy: -80.788 tors. eta vs tors. theta energy: -44.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2626.876480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.876480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.876480 (E_RNA) where: Base-Base interactions energy: -1865.948 where: short stacking energy: -760.065 Base-Backbone interact. energy: -3.693 local terms energy: -757.236171 where: bonds (distance) C4'-P energy: -125.622 bonds (distance) P-C4' energy: -138.994 flat angles C4'-P-C4' energy: -157.055 flat angles P-C4'-P energy: -104.881 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: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2602.540741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.540741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.540741 (E_RNA) where: Base-Base interactions energy: -1864.824 where: short stacking energy: -748.890 Base-Backbone interact. energy: -2.428 local terms energy: -735.288573 where: bonds (distance) C4'-P energy: -114.600 bonds (distance) P-C4' energy: -134.500 flat angles C4'-P-C4' energy: -152.372 flat angles P-C4'-P energy: -107.093 tors. eta vs tors. theta energy: -226.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2533.732933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.732933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.732933 (E_RNA) where: Base-Base interactions energy: -1793.236 where: short stacking energy: -749.801 Base-Backbone interact. energy: -2.403 local terms energy: -738.094538 where: bonds (distance) C4'-P energy: -128.980 bonds (distance) P-C4' energy: -125.193 flat angles C4'-P-C4' energy: -153.404 flat angles P-C4'-P energy: -104.761 tors. eta vs tors. theta energy: -225.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2471.679760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.679760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.679760 (E_RNA) where: Base-Base interactions energy: -1746.588 where: short stacking energy: -724.098 Base-Backbone interact. energy: -1.588 local terms energy: -723.502772 where: bonds (distance) C4'-P energy: -125.300 bonds (distance) P-C4' energy: -131.239 flat angles C4'-P-C4' energy: -152.205 flat angles P-C4'-P energy: -97.852 tors. eta vs tors. theta energy: -216.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2405.207895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.207895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.207895 (E_RNA) where: Base-Base interactions energy: -1692.223 where: short stacking energy: -694.471 Base-Backbone interact. energy: -1.138 local terms energy: -711.846658 where: bonds (distance) C4'-P energy: -123.306 bonds (distance) P-C4' energy: -118.468 flat angles C4'-P-C4' energy: -149.346 flat angles P-C4'-P energy: -97.260 tors. eta vs tors. theta energy: -223.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2244.411753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.411753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.411753 (E_RNA) where: Base-Base interactions energy: -1561.296 where: short stacking energy: -646.489 Base-Backbone interact. energy: 1.925 local terms energy: -685.041596 where: bonds (distance) C4'-P energy: -128.390 bonds (distance) P-C4' energy: -113.414 flat angles C4'-P-C4' energy: -159.470 flat angles P-C4'-P energy: -100.753 tors. eta vs tors. theta energy: -183.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1880.793551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.793551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.793551 (E_RNA) where: Base-Base interactions energy: -1285.338 where: short stacking energy: -573.065 Base-Backbone interact. energy: -1.978 local terms energy: -593.477349 where: bonds (distance) C4'-P energy: -109.889 bonds (distance) P-C4' energy: -124.437 flat angles C4'-P-C4' energy: -129.279 flat angles P-C4'-P energy: -73.353 tors. eta vs tors. theta energy: -156.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1539.032044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.032044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.032044 (E_RNA) where: Base-Base interactions energy: -1035.030 where: short stacking energy: -446.476 Base-Backbone interact. energy: 5.280 local terms energy: -509.281357 where: bonds (distance) C4'-P energy: -112.882 bonds (distance) P-C4' energy: -109.758 flat angles C4'-P-C4' energy: -116.499 flat angles P-C4'-P energy: -70.107 tors. eta vs tors. theta energy: -100.035 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: 9, replica: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1455.546453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.546453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.546453 (E_RNA) where: Base-Base interactions energy: -974.507 where: short stacking energy: -407.467 Base-Backbone interact. energy: -1.185 local terms energy: -479.854741 where: bonds (distance) C4'-P energy: -99.308 bonds (distance) P-C4' energy: -123.241 flat angles C4'-P-C4' energy: -122.153 flat angles P-C4'-P energy: -45.961 tors. eta vs tors. theta energy: -89.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1090.707404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.707404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.707404 (E_RNA) where: Base-Base interactions energy: -671.766 where: short stacking energy: -310.813 Base-Backbone interact. energy: -1.578 local terms energy: -417.363369 where: bonds (distance) C4'-P energy: -104.367 bonds (distance) P-C4' energy: -97.964 flat angles C4'-P-C4' energy: -104.936 flat angles P-C4'-P energy: -64.903 tors. eta vs tors. theta energy: -45.193 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: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2608.541866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.541866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.541866 (E_RNA) where: Base-Base interactions energy: -1852.337 where: short stacking energy: -742.516 Base-Backbone interact. energy: -4.013 local terms energy: -752.191695 where: bonds (distance) C4'-P energy: -136.949 bonds (distance) P-C4' energy: -137.551 flat angles C4'-P-C4' energy: -146.132 flat angles P-C4'-P energy: -103.817 tors. eta vs tors. theta energy: -227.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2618.544500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.544500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.544500 (E_RNA) where: Base-Base interactions energy: -1851.255 where: short stacking energy: -756.995 Base-Backbone interact. energy: -2.522 local terms energy: -764.767243 where: bonds (distance) C4'-P energy: -144.435 bonds (distance) P-C4' energy: -125.418 flat angles C4'-P-C4' energy: -151.032 flat angles P-C4'-P energy: -107.848 tors. eta vs tors. theta energy: -236.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2545.401851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.401851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.401851 (E_RNA) where: Base-Base interactions energy: -1798.300 where: short stacking energy: -741.135 Base-Backbone interact. energy: -1.239 local terms energy: -745.862395 where: bonds (distance) C4'-P energy: -116.469 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -161.296 flat angles P-C4'-P energy: -108.138 tors. eta vs tors. theta energy: -231.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2444.457102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.457102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.457102 (E_RNA) where: Base-Base interactions energy: -1734.960 where: short stacking energy: -709.893 Base-Backbone interact. energy: 0.205 local terms energy: -709.702765 where: bonds (distance) C4'-P energy: -128.139 bonds (distance) P-C4' energy: -123.336 flat angles C4'-P-C4' energy: -144.724 flat angles P-C4'-P energy: -98.181 tors. eta vs tors. theta energy: -215.323 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: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2410.662323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.662323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.662323 (E_RNA) where: Base-Base interactions energy: -1722.265 where: short stacking energy: -689.873 Base-Backbone interact. energy: -1.515 local terms energy: -686.882565 where: bonds (distance) C4'-P energy: -101.286 bonds (distance) P-C4' energy: -132.288 flat angles C4'-P-C4' energy: -141.611 flat angles P-C4'-P energy: -92.938 tors. eta vs tors. theta energy: -218.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2213.804417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.804417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.804417 (E_RNA) where: Base-Base interactions energy: -1582.372 where: short stacking energy: -631.960 Base-Backbone interact. energy: -0.101 local terms energy: -631.331419 where: bonds (distance) C4'-P energy: -95.654 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -152.115 flat angles P-C4'-P energy: -80.499 tors. eta vs tors. theta energy: -184.903 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: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1794.511322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.511322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.511322 (E_RNA) where: Base-Base interactions energy: -1239.926 where: short stacking energy: -518.460 Base-Backbone interact. energy: -2.231 local terms energy: -552.354197 where: bonds (distance) C4'-P energy: -116.739 bonds (distance) P-C4' energy: -101.362 flat angles C4'-P-C4' energy: -127.602 flat angles P-C4'-P energy: -75.065 tors. eta vs tors. theta energy: -131.587 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: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1458.465781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.465781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.465781 (E_RNA) where: Base-Base interactions energy: -970.168 where: short stacking energy: -438.071 Base-Backbone interact. energy: -1.512 local terms energy: -486.785457 where: bonds (distance) C4'-P energy: -117.499 bonds (distance) P-C4' energy: -106.365 flat angles C4'-P-C4' energy: -102.355 flat angles P-C4'-P energy: -69.949 tors. eta vs tors. theta energy: -90.618 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: 152 Temperature: 1.300000 Total energy: -1511.099860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.099860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.099860 (E_RNA) where: Base-Base interactions energy: -1006.214 where: short stacking energy: -438.860 Base-Backbone interact. energy: -1.356 local terms energy: -503.530115 where: bonds (distance) C4'-P energy: -91.256 bonds (distance) P-C4' energy: -117.888 flat angles C4'-P-C4' energy: -121.175 flat angles P-C4'-P energy: -76.962 tors. eta vs tors. theta energy: -96.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1058.708140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.708140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.708140 (E_RNA) where: Base-Base interactions energy: -658.777 where: short stacking energy: -316.885 Base-Backbone interact. energy: -2.914 local terms energy: -397.016353 where: bonds (distance) C4'-P energy: -98.559 bonds (distance) P-C4' energy: -96.192 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -48.428 tors. eta vs tors. theta energy: -54.213 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: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2603.708710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.708710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.708710 (E_RNA) where: Base-Base interactions energy: -1849.678 where: short stacking energy: -745.240 Base-Backbone interact. energy: -0.776 local terms energy: -753.254430 where: bonds (distance) C4'-P energy: -137.639 bonds (distance) P-C4' energy: -135.829 flat angles C4'-P-C4' energy: -155.084 flat angles P-C4'-P energy: -97.991 tors. eta vs tors. theta energy: -226.712 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2626.577784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.577784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.577784 (E_RNA) where: Base-Base interactions energy: -1867.682 where: short stacking energy: -753.283 Base-Backbone interact. energy: -1.744 local terms energy: -757.151511 where: bonds (distance) C4'-P energy: -119.761 bonds (distance) P-C4' energy: -131.359 flat angles C4'-P-C4' energy: -163.979 flat angles P-C4'-P energy: -106.286 tors. eta vs tors. theta energy: -235.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2507.029747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.029747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.029747 (E_RNA) where: Base-Base interactions energy: -1793.499 where: short stacking energy: -724.486 Base-Backbone interact. energy: -0.035 local terms energy: -713.495403 where: bonds (distance) C4'-P energy: -119.454 bonds (distance) P-C4' energy: -111.161 flat angles C4'-P-C4' energy: -156.592 flat angles P-C4'-P energy: -110.656 tors. eta vs tors. theta energy: -215.633 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2440.610812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.610812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.610812 (E_RNA) where: Base-Base interactions energy: -1734.957 where: short stacking energy: -695.263 Base-Backbone interact. energy: 1.300 local terms energy: -706.954483 where: bonds (distance) C4'-P energy: -110.482 bonds (distance) P-C4' energy: -138.636 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -98.377 tors. eta vs tors. theta energy: -214.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2396.146049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.146049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.146049 (E_RNA) where: Base-Base interactions energy: -1690.751 where: short stacking energy: -693.389 Base-Backbone interact. energy: -1.493 local terms energy: -703.902239 where: bonds (distance) C4'-P energy: -130.092 bonds (distance) P-C4' energy: -107.468 flat angles C4'-P-C4' energy: -155.767 flat angles P-C4'-P energy: -93.113 tors. eta vs tors. theta energy: -217.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2203.606723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.606723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.606723 (E_RNA) where: Base-Base interactions energy: -1564.252 where: short stacking energy: -653.025 Base-Backbone interact. energy: 6.883 local terms energy: -646.237213 where: bonds (distance) C4'-P energy: -113.229 bonds (distance) P-C4' energy: -109.757 flat angles C4'-P-C4' energy: -143.914 flat angles P-C4'-P energy: -84.978 tors. eta vs tors. theta energy: -194.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1784.001420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.001420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.001420 (E_RNA) where: Base-Base interactions energy: -1208.675 where: short stacking energy: -533.742 Base-Backbone interact. energy: 2.590 local terms energy: -577.916499 where: bonds (distance) C4'-P energy: -114.418 bonds (distance) P-C4' energy: -134.852 flat angles C4'-P-C4' energy: -125.878 flat angles P-C4'-P energy: -62.487 tors. eta vs tors. theta energy: -140.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1516.985749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.985749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.985749 (E_RNA) where: Base-Base interactions energy: -1000.100 where: short stacking energy: -429.225 Base-Backbone interact. energy: -2.874 local terms energy: -514.012026 where: bonds (distance) C4'-P energy: -122.212 bonds (distance) P-C4' energy: -110.462 flat angles C4'-P-C4' energy: -108.521 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -106.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1444.243838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.243838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.243838 (E_RNA) where: Base-Base interactions energy: -936.867 where: short stacking energy: -404.372 Base-Backbone interact. energy: -1.947 local terms energy: -505.429270 where: bonds (distance) C4'-P energy: -106.754 bonds (distance) P-C4' energy: -113.043 flat angles C4'-P-C4' energy: -123.172 flat angles P-C4'-P energy: -69.287 tors. eta vs tors. theta energy: -93.174 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: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1078.695968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.695968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.695968 (E_RNA) where: Base-Base interactions energy: -675.609 where: short stacking energy: -335.044 Base-Backbone interact. energy: -2.011 local terms energy: -401.076431 where: bonds (distance) C4'-P energy: -101.954 bonds (distance) P-C4' energy: -104.787 flat angles C4'-P-C4' energy: -100.413 flat angles P-C4'-P energy: -38.796 tors. eta vs tors. theta energy: -55.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2638.869704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.869704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.869704 (E_RNA) where: Base-Base interactions energy: -1868.877 where: short stacking energy: -747.245 Base-Backbone interact. energy: -2.515 local terms energy: -767.477663 where: bonds (distance) C4'-P energy: -124.192 bonds (distance) P-C4' energy: -136.775 flat angles C4'-P-C4' energy: -163.707 flat angles P-C4'-P energy: -114.402 tors. eta vs tors. theta energy: -228.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2608.068395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.068395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.068395 (E_RNA) where: Base-Base interactions energy: -1861.532 where: short stacking energy: -770.195 Base-Backbone interact. energy: -0.949 local terms energy: -745.587345 where: bonds (distance) C4'-P energy: -135.563 bonds (distance) P-C4' energy: -110.138 flat angles C4'-P-C4' energy: -151.989 flat angles P-C4'-P energy: -110.128 tors. eta vs tors. theta energy: -237.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2519.569812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.569812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.569812 (E_RNA) where: Base-Base interactions energy: -1782.003 where: short stacking energy: -748.132 Base-Backbone interact. energy: -1.057 local terms energy: -736.509614 where: bonds (distance) C4'-P energy: -120.892 bonds (distance) P-C4' energy: -133.708 flat angles C4'-P-C4' energy: -152.351 flat angles P-C4'-P energy: -105.342 tors. eta vs tors. theta energy: -224.216 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: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2423.393573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.393573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.393573 (E_RNA) where: Base-Base interactions energy: -1710.293 where: short stacking energy: -702.908 Base-Backbone interact. energy: -0.102 local terms energy: -712.998392 where: bonds (distance) C4'-P energy: -129.519 bonds (distance) P-C4' energy: -125.650 flat angles C4'-P-C4' energy: -146.780 flat angles P-C4'-P energy: -100.515 tors. eta vs tors. theta energy: -210.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2423.876956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.876956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.876956 (E_RNA) where: Base-Base interactions energy: -1730.085 where: short stacking energy: -691.037 Base-Backbone interact. energy: -0.221 local terms energy: -693.570500 where: bonds (distance) C4'-P energy: -128.456 bonds (distance) P-C4' energy: -104.140 flat angles C4'-P-C4' energy: -153.176 flat angles P-C4'-P energy: -105.023 tors. eta vs tors. theta energy: -202.775 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: 154 Temperature: 1.150000 Total energy: -2205.931439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.931439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.931439 (E_RNA) where: Base-Base interactions energy: -1568.150 where: short stacking energy: -667.142 Base-Backbone interact. energy: -1.897 local terms energy: -635.884469 where: bonds (distance) C4'-P energy: -100.169 bonds (distance) P-C4' energy: -114.047 flat angles C4'-P-C4' energy: -131.856 flat angles P-C4'-P energy: -91.289 tors. eta vs tors. theta energy: -198.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1779.064952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.064952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.064952 (E_RNA) where: Base-Base interactions energy: -1215.317 where: short stacking energy: -510.439 Base-Backbone interact. energy: 3.374 local terms energy: -567.122143 where: bonds (distance) C4'-P energy: -112.727 bonds (distance) P-C4' energy: -118.526 flat angles C4'-P-C4' energy: -129.543 flat angles P-C4'-P energy: -71.413 tors. eta vs tors. theta energy: -134.913 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: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1459.496972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.496972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.496972 (E_RNA) where: Base-Base interactions energy: -952.967 where: short stacking energy: -401.838 Base-Backbone interact. energy: 4.434 local terms energy: -510.963736 where: bonds (distance) C4'-P energy: -99.861 bonds (distance) P-C4' energy: -123.207 flat angles C4'-P-C4' energy: -104.715 flat angles P-C4'-P energy: -86.913 tors. eta vs tors. theta energy: -96.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1389.936237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.936237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.936237 (E_RNA) where: Base-Base interactions energy: -894.708 where: short stacking energy: -393.004 Base-Backbone interact. energy: 0.081 local terms energy: -495.309109 where: bonds (distance) C4'-P energy: -99.941 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -128.292 flat angles P-C4'-P energy: -63.057 tors. eta vs tors. theta energy: -78.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1043.136312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.136312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.136312 (E_RNA) where: Base-Base interactions energy: -647.710 where: short stacking energy: -296.394 Base-Backbone interact. energy: -0.590 local terms energy: -394.836657 where: bonds (distance) C4'-P energy: -80.176 bonds (distance) P-C4' energy: -112.683 flat angles C4'-P-C4' energy: -96.341 flat angles P-C4'-P energy: -58.533 tors. eta vs tors. theta energy: -47.103 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: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2612.595681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.595681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.595681 (E_RNA) where: Base-Base interactions energy: -1838.861 where: short stacking energy: -761.614 Base-Backbone interact. energy: -0.626 local terms energy: -773.108874 where: bonds (distance) C4'-P energy: -138.279 bonds (distance) P-C4' energy: -138.704 flat angles C4'-P-C4' energy: -152.232 flat angles P-C4'-P energy: -102.523 tors. eta vs tors. theta energy: -241.370 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: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2611.981889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.981889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.981889 (E_RNA) where: Base-Base interactions energy: -1853.078 where: short stacking energy: -741.130 Base-Backbone interact. energy: -0.753 local terms energy: -758.150926 where: bonds (distance) C4'-P energy: -128.484 bonds (distance) P-C4' energy: -129.622 flat angles C4'-P-C4' energy: -154.730 flat angles P-C4'-P energy: -106.056 tors. eta vs tors. theta energy: -239.260 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: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2523.922906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.922906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.922906 (E_RNA) where: Base-Base interactions energy: -1780.844 where: short stacking energy: -750.953 Base-Backbone interact. energy: -1.628 local terms energy: -741.450638 where: bonds (distance) C4'-P energy: -127.503 bonds (distance) P-C4' energy: -130.091 flat angles C4'-P-C4' energy: -157.049 flat angles P-C4'-P energy: -98.817 tors. eta vs tors. theta energy: -227.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2429.566216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.566216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.566216 (E_RNA) where: Base-Base interactions energy: -1722.487 where: short stacking energy: -691.505 Base-Backbone interact. energy: 1.619 local terms energy: -708.698720 where: bonds (distance) C4'-P energy: -117.684 bonds (distance) P-C4' energy: -133.477 flat angles C4'-P-C4' energy: -148.999 flat angles P-C4'-P energy: -102.672 tors. eta vs tors. theta energy: -205.867 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: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2367.920869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.920869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.920869 (E_RNA) where: Base-Base interactions energy: -1686.971 where: short stacking energy: -695.031 Base-Backbone interact. energy: 0.619 local terms energy: -681.569009 where: bonds (distance) C4'-P energy: -109.950 bonds (distance) P-C4' energy: -130.207 flat angles C4'-P-C4' energy: -136.938 flat angles P-C4'-P energy: -90.159 tors. eta vs tors. theta energy: -214.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2264.776967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.776967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.776967 (E_RNA) where: Base-Base interactions energy: -1577.180 where: short stacking energy: -647.285 Base-Backbone interact. energy: -0.994 local terms energy: -686.603643 where: bonds (distance) C4'-P energy: -126.031 bonds (distance) P-C4' energy: -131.948 flat angles C4'-P-C4' energy: -144.046 flat angles P-C4'-P energy: -87.431 tors. eta vs tors. theta energy: -197.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1777.775401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.775401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.775401 (E_RNA) where: Base-Base interactions energy: -1203.316 where: short stacking energy: -520.355 Base-Backbone interact. energy: -0.948 local terms energy: -573.511978 where: bonds (distance) C4'-P energy: -121.799 bonds (distance) P-C4' energy: -112.667 flat angles C4'-P-C4' energy: -118.976 flat angles P-C4'-P energy: -75.601 tors. eta vs tors. theta energy: -144.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1509.792551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.792551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.792551 (E_RNA) where: Base-Base interactions energy: -1038.542 where: short stacking energy: -428.321 Base-Backbone interact. energy: 0.830 local terms energy: -472.080387 where: bonds (distance) C4'-P energy: -97.338 bonds (distance) P-C4' energy: -104.583 flat angles C4'-P-C4' energy: -108.248 flat angles P-C4'-P energy: -71.962 tors. eta vs tors. theta energy: -89.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1474.959467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.959467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.959467 (E_RNA) where: Base-Base interactions energy: -995.304 where: short stacking energy: -425.223 Base-Backbone interact. energy: 1.959 local terms energy: -481.614004 where: bonds (distance) C4'-P energy: -97.912 bonds (distance) P-C4' energy: -112.047 flat angles C4'-P-C4' energy: -101.616 flat angles P-C4'-P energy: -76.458 tors. eta vs tors. theta energy: -93.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1039.312988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.312988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.312988 (E_RNA) where: Base-Base interactions energy: -656.343 where: short stacking energy: -324.362 Base-Backbone interact. energy: -1.797 local terms energy: -381.172658 where: bonds (distance) C4'-P energy: -103.907 bonds (distance) P-C4' energy: -86.885 flat angles C4'-P-C4' energy: -74.825 flat angles P-C4'-P energy: -60.321 tors. eta vs tors. theta energy: -55.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2655.165511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.165511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.165511 (E_RNA) where: Base-Base interactions energy: -1909.630 where: short stacking energy: -786.479 Base-Backbone interact. energy: -1.469 local terms energy: -744.066520 where: bonds (distance) C4'-P energy: -128.029 bonds (distance) P-C4' energy: -127.088 flat angles C4'-P-C4' energy: -157.809 flat angles P-C4'-P energy: -94.868 tors. eta vs tors. theta energy: -236.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2601.297329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.297329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.297329 (E_RNA) where: Base-Base interactions energy: -1841.399 where: short stacking energy: -774.377 Base-Backbone interact. energy: -1.919 local terms energy: -757.978771 where: bonds (distance) C4'-P energy: -136.077 bonds (distance) P-C4' energy: -136.525 flat angles C4'-P-C4' energy: -157.062 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -232.912 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: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2513.180846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.180846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.180846 (E_RNA) where: Base-Base interactions energy: -1767.404 where: short stacking energy: -717.530 Base-Backbone interact. energy: -1.190 local terms energy: -744.586804 where: bonds (distance) C4'-P energy: -128.381 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -162.835 flat angles P-C4'-P energy: -94.311 tors. eta vs tors. theta energy: -223.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2428.538282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.538282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.538282 (E_RNA) where: Base-Base interactions energy: -1738.287 where: short stacking energy: -720.912 Base-Backbone interact. energy: 4.791 local terms energy: -695.042379 where: bonds (distance) C4'-P energy: -108.800 bonds (distance) P-C4' energy: -115.015 flat angles C4'-P-C4' energy: -139.254 flat angles P-C4'-P energy: -104.904 tors. eta vs tors. theta energy: -227.070 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: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2427.381372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.381372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.381372 (E_RNA) where: Base-Base interactions energy: -1739.068 where: short stacking energy: -722.934 Base-Backbone interact. energy: -1.667 local terms energy: -686.646592 where: bonds (distance) C4'-P energy: -120.998 bonds (distance) P-C4' energy: -109.922 flat angles C4'-P-C4' energy: -154.891 flat angles P-C4'-P energy: -91.635 tors. eta vs tors. theta energy: -209.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2252.108683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.108683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.108683 (E_RNA) where: Base-Base interactions energy: -1640.339 where: short stacking energy: -665.700 Base-Backbone interact. energy: 6.630 local terms energy: -618.398894 where: bonds (distance) C4'-P energy: -86.229 bonds (distance) P-C4' energy: -122.000 flat angles C4'-P-C4' energy: -137.274 flat angles P-C4'-P energy: -78.264 tors. eta vs tors. theta energy: -194.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1805.732443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.732443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.732443 (E_RNA) where: Base-Base interactions energy: -1222.592 where: short stacking energy: -498.556 Base-Backbone interact. energy: -3.764 local terms energy: -579.376820 where: bonds (distance) C4'-P energy: -116.445 bonds (distance) P-C4' energy: -117.422 flat angles C4'-P-C4' energy: -138.242 flat angles P-C4'-P energy: -71.628 tors. eta vs tors. theta energy: -135.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1475.509316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.509316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.509316 (E_RNA) where: Base-Base interactions energy: -951.117 where: short stacking energy: -415.299 Base-Backbone interact. energy: -1.727 local terms energy: -522.665894 where: bonds (distance) C4'-P energy: -93.331 bonds (distance) P-C4' energy: -114.530 flat angles C4'-P-C4' energy: -123.217 flat angles P-C4'-P energy: -80.305 tors. eta vs tors. theta energy: -111.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1439.996635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.996635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.996635 (E_RNA) where: Base-Base interactions energy: -922.729 where: short stacking energy: -398.866 Base-Backbone interact. energy: -2.615 local terms energy: -514.653192 where: bonds (distance) C4'-P energy: -122.383 bonds (distance) P-C4' energy: -120.437 flat angles C4'-P-C4' energy: -114.446 flat angles P-C4'-P energy: -76.632 tors. eta vs tors. theta energy: -80.755 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: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1011.488504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.488504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.488504 (E_RNA) where: Base-Base interactions energy: -607.845 where: short stacking energy: -282.261 Base-Backbone interact. energy: -0.681 local terms energy: -402.963317 where: bonds (distance) C4'-P energy: -95.277 bonds (distance) P-C4' energy: -115.545 flat angles C4'-P-C4' energy: -89.011 flat angles P-C4'-P energy: -61.625 tors. eta vs tors. theta energy: -41.507 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: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2660.043209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.043209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.043209 (E_RNA) where: Base-Base interactions energy: -1896.076 where: short stacking energy: -765.261 Base-Backbone interact. energy: 4.813 local terms energy: -768.779652 where: bonds (distance) C4'-P energy: -140.135 bonds (distance) P-C4' energy: -125.077 flat angles C4'-P-C4' energy: -151.258 flat angles P-C4'-P energy: -115.684 tors. eta vs tors. theta energy: -236.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2564.566191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.566191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.566191 (E_RNA) where: Base-Base interactions energy: -1834.152 where: short stacking energy: -743.489 Base-Backbone interact. energy: 2.131 local terms energy: -732.545385 where: bonds (distance) C4'-P energy: -133.874 bonds (distance) P-C4' energy: -126.318 flat angles C4'-P-C4' energy: -148.147 flat angles P-C4'-P energy: -98.864 tors. eta vs tors. theta energy: -225.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2523.101304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.101304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.101304 (E_RNA) where: Base-Base interactions energy: -1793.359 where: short stacking energy: -733.547 Base-Backbone interact. energy: -0.439 local terms energy: -729.303822 where: bonds (distance) C4'-P energy: -122.106 bonds (distance) P-C4' energy: -140.263 flat angles C4'-P-C4' energy: -135.347 flat angles P-C4'-P energy: -102.819 tors. eta vs tors. theta energy: -228.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2424.517475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.517475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.517475 (E_RNA) where: Base-Base interactions energy: -1719.959 where: short stacking energy: -731.393 Base-Backbone interact. energy: -3.016 local terms energy: -701.543092 where: bonds (distance) C4'-P energy: -135.539 bonds (distance) P-C4' energy: -111.103 flat angles C4'-P-C4' energy: -142.353 flat angles P-C4'-P energy: -89.707 tors. eta vs tors. theta energy: -222.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2349.104141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.104141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.104141 (E_RNA) where: Base-Base interactions energy: -1677.004 where: short stacking energy: -679.459 Base-Backbone interact. energy: -0.604 local terms energy: -671.496543 where: bonds (distance) C4'-P energy: -117.989 bonds (distance) P-C4' energy: -110.486 flat angles C4'-P-C4' energy: -147.995 flat angles P-C4'-P energy: -89.892 tors. eta vs tors. theta energy: -205.135 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: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2239.018132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.018132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.018132 (E_RNA) where: Base-Base interactions energy: -1599.972 where: short stacking energy: -667.981 Base-Backbone interact. energy: 1.777 local terms energy: -640.822894 where: bonds (distance) C4'-P energy: -111.026 bonds (distance) P-C4' energy: -106.830 flat angles C4'-P-C4' energy: -131.647 flat angles P-C4'-P energy: -83.130 tors. eta vs tors. theta energy: -208.191 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: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1829.076744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.076744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.076744 (E_RNA) where: Base-Base interactions energy: -1262.983 where: short stacking energy: -538.424 Base-Backbone interact. energy: 4.370 local terms energy: -570.463910 where: bonds (distance) C4'-P energy: -109.554 bonds (distance) P-C4' energy: -115.476 flat angles C4'-P-C4' energy: -120.255 flat angles P-C4'-P energy: -93.722 tors. eta vs tors. theta energy: -131.456 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: 157 Temperature: 1.250000 Total energy: -1497.182615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.182615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.182615 (E_RNA) where: Base-Base interactions energy: -975.565 where: short stacking energy: -432.349 Base-Backbone interact. energy: 0.397 local terms energy: -522.014234 where: bonds (distance) C4'-P energy: -92.854 bonds (distance) P-C4' energy: -134.369 flat angles C4'-P-C4' energy: -127.297 flat angles P-C4'-P energy: -78.986 tors. eta vs tors. theta energy: -88.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1424.384723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.384723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.384723 (E_RNA) where: Base-Base interactions energy: -929.369 where: short stacking energy: -416.218 Base-Backbone interact. energy: 1.116 local terms energy: -496.130910 where: bonds (distance) C4'-P energy: -112.510 bonds (distance) P-C4' energy: -113.188 flat angles C4'-P-C4' energy: -120.487 flat angles P-C4'-P energy: -60.516 tors. eta vs tors. theta energy: -89.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1052.886922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.886922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.886922 (E_RNA) where: Base-Base interactions energy: -640.506 where: short stacking energy: -314.980 Base-Backbone interact. energy: -0.898 local terms energy: -411.483349 where: bonds (distance) C4'-P energy: -95.846 bonds (distance) P-C4' energy: -103.388 flat angles C4'-P-C4' energy: -101.696 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: -41.087 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: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2650.053606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.053606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.053606 (E_RNA) where: Base-Base interactions energy: -1882.229 where: short stacking energy: -740.429 Base-Backbone interact. energy: -0.761 local terms energy: -767.063450 where: bonds (distance) C4'-P energy: -131.908 bonds (distance) P-C4' energy: -134.108 flat angles C4'-P-C4' energy: -160.027 flat angles P-C4'-P energy: -104.917 tors. eta vs tors. theta energy: -236.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2577.775449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.775449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.775449 (E_RNA) where: Base-Base interactions energy: -1859.203 where: short stacking energy: -737.625 Base-Backbone interact. energy: 2.481 local terms energy: -721.053206 where: bonds (distance) C4'-P energy: -130.285 bonds (distance) P-C4' energy: -115.111 flat angles C4'-P-C4' energy: -149.943 flat angles P-C4'-P energy: -96.521 tors. eta vs tors. theta energy: -229.193 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: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2523.845674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.845674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.845674 (E_RNA) where: Base-Base interactions energy: -1806.957 where: short stacking energy: -724.125 Base-Backbone interact. energy: -1.753 local terms energy: -715.135094 where: bonds (distance) C4'-P energy: -102.952 bonds (distance) P-C4' energy: -139.450 flat angles C4'-P-C4' energy: -156.412 flat angles P-C4'-P energy: -95.218 tors. eta vs tors. theta energy: -221.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2423.348999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.348999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.348999 (E_RNA) where: Base-Base interactions energy: -1739.833 where: short stacking energy: -704.122 Base-Backbone interact. energy: -0.378 local terms energy: -683.137734 where: bonds (distance) C4'-P energy: -111.045 bonds (distance) P-C4' energy: -138.144 flat angles C4'-P-C4' energy: -141.152 flat angles P-C4'-P energy: -89.964 tors. eta vs tors. theta energy: -202.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2368.505274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.505274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.505274 (E_RNA) where: Base-Base interactions energy: -1668.601 where: short stacking energy: -684.892 Base-Backbone interact. energy: -2.204 local terms energy: -697.700770 where: bonds (distance) C4'-P energy: -108.204 bonds (distance) P-C4' energy: -127.125 flat angles C4'-P-C4' energy: -151.939 flat angles P-C4'-P energy: -95.339 tors. eta vs tors. theta energy: -215.094 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: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2217.194235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.194235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.194235 (E_RNA) where: Base-Base interactions energy: -1557.721 where: short stacking energy: -629.107 Base-Backbone interact. energy: -2.740 local terms energy: -656.733725 where: bonds (distance) C4'-P energy: -137.180 bonds (distance) P-C4' energy: -112.640 flat angles C4'-P-C4' energy: -136.861 flat angles P-C4'-P energy: -79.184 tors. eta vs tors. theta energy: -190.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1786.963136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.963136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.963136 (E_RNA) where: Base-Base interactions energy: -1223.046 where: short stacking energy: -501.285 Base-Backbone interact. energy: -5.336 local terms energy: -558.581203 where: bonds (distance) C4'-P energy: -99.167 bonds (distance) P-C4' energy: -125.945 flat angles C4'-P-C4' energy: -130.107 flat angles P-C4'-P energy: -84.701 tors. eta vs tors. theta energy: -118.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1523.579543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.579543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.579543 (E_RNA) where: Base-Base interactions energy: -990.321 where: short stacking energy: -423.674 Base-Backbone interact. energy: -2.952 local terms energy: -530.306491 where: bonds (distance) C4'-P energy: -109.437 bonds (distance) P-C4' energy: -110.754 flat angles C4'-P-C4' energy: -127.369 flat angles P-C4'-P energy: -90.076 tors. eta vs tors. theta energy: -92.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1458.420012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.420012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.420012 (E_RNA) where: Base-Base interactions energy: -925.505 where: short stacking energy: -391.896 Base-Backbone interact. energy: 0.599 local terms energy: -533.514738 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -118.633 flat angles C4'-P-C4' energy: -106.935 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: -103.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1085.467112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.467112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.467112 (E_RNA) where: Base-Base interactions energy: -681.745 where: short stacking energy: -282.691 Base-Backbone interact. energy: 1.640 local terms energy: -405.362338 where: bonds (distance) C4'-P energy: -104.518 bonds (distance) P-C4' energy: -120.263 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -36.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2616.948109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.948109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.948109 (E_RNA) where: Base-Base interactions energy: -1860.392 where: short stacking energy: -752.210 Base-Backbone interact. energy: -1.612 local terms energy: -754.943826 where: bonds (distance) C4'-P energy: -126.730 bonds (distance) P-C4' energy: -135.809 flat angles C4'-P-C4' energy: -158.341 flat angles P-C4'-P energy: -105.688 tors. eta vs tors. theta energy: -228.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2602.707879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.707879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.707879 (E_RNA) where: Base-Base interactions energy: -1835.597 where: short stacking energy: -729.715 Base-Backbone interact. energy: -2.253 local terms energy: -764.857937 where: bonds (distance) C4'-P energy: -148.850 bonds (distance) P-C4' energy: -121.934 flat angles C4'-P-C4' energy: -159.676 flat angles P-C4'-P energy: -103.479 tors. eta vs tors. theta energy: -230.920 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: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2549.022241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.022241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.022241 (E_RNA) where: Base-Base interactions energy: -1819.860 where: short stacking energy: -736.701 Base-Backbone interact. energy: -0.663 local terms energy: -728.499447 where: bonds (distance) C4'-P energy: -119.135 bonds (distance) P-C4' energy: -124.279 flat angles C4'-P-C4' energy: -145.753 flat angles P-C4'-P energy: -109.757 tors. eta vs tors. theta energy: -229.576 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: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2413.640860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.640860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.640860 (E_RNA) where: Base-Base interactions energy: -1724.743 where: short stacking energy: -703.219 Base-Backbone interact. energy: -1.223 local terms energy: -687.674970 where: bonds (distance) C4'-P energy: -96.183 bonds (distance) P-C4' energy: -121.330 flat angles C4'-P-C4' energy: -148.350 flat angles P-C4'-P energy: -101.717 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: 5, replica: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2324.911603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.911603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.911603 (E_RNA) where: Base-Base interactions energy: -1653.702 where: short stacking energy: -672.071 Base-Backbone interact. energy: 0.841 local terms energy: -672.050802 where: bonds (distance) C4'-P energy: -105.415 bonds (distance) P-C4' energy: -118.763 flat angles C4'-P-C4' energy: -153.849 flat angles P-C4'-P energy: -95.762 tors. eta vs tors. theta energy: -198.262 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: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2249.971447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.971447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.971447 (E_RNA) where: Base-Base interactions energy: -1576.375 where: short stacking energy: -631.407 Base-Backbone interact. energy: -2.413 local terms energy: -671.183140 where: bonds (distance) C4'-P energy: -123.061 bonds (distance) P-C4' energy: -108.701 flat angles C4'-P-C4' energy: -153.476 flat angles P-C4'-P energy: -89.524 tors. eta vs tors. theta energy: -196.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1802.008375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.008375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.008375 (E_RNA) where: Base-Base interactions energy: -1223.051 where: short stacking energy: -516.233 Base-Backbone interact. energy: 2.542 local terms energy: -581.499010 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -115.793 flat angles C4'-P-C4' energy: -124.501 flat angles P-C4'-P energy: -86.666 tors. eta vs tors. theta energy: -138.440 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: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1538.880085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.880085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.880085 (E_RNA) where: Base-Base interactions energy: -1052.103 where: short stacking energy: -458.854 Base-Backbone interact. energy: 1.198 local terms energy: -487.975052 where: bonds (distance) C4'-P energy: -104.062 bonds (distance) P-C4' energy: -105.805 flat angles C4'-P-C4' energy: -118.944 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -101.428 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: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1459.793784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.793784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.793784 (E_RNA) where: Base-Base interactions energy: -940.593 where: short stacking energy: -455.913 Base-Backbone interact. energy: -2.399 local terms energy: -516.801368 where: bonds (distance) C4'-P energy: -107.684 bonds (distance) P-C4' energy: -120.209 flat angles C4'-P-C4' energy: -109.504 flat angles P-C4'-P energy: -70.343 tors. eta vs tors. theta energy: -109.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1134.611525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.611525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.611525 (E_RNA) where: Base-Base interactions energy: -709.828 where: short stacking energy: -303.413 Base-Backbone interact. energy: 3.226 local terms energy: -428.009561 where: bonds (distance) C4'-P energy: -113.287 bonds (distance) P-C4' energy: -107.833 flat angles C4'-P-C4' energy: -100.814 flat angles P-C4'-P energy: -66.715 tors. eta vs tors. theta energy: -39.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2636.416123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.416123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.416123 (E_RNA) where: Base-Base interactions energy: -1863.646 where: short stacking energy: -759.561 Base-Backbone interact. energy: -3.190 local terms energy: -769.580065 where: bonds (distance) C4'-P energy: -143.860 bonds (distance) P-C4' energy: -134.677 flat angles C4'-P-C4' energy: -159.054 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -231.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2579.947774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.947774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.947774 (E_RNA) where: Base-Base interactions energy: -1826.174 where: short stacking energy: -739.336 Base-Backbone interact. energy: -6.171 local terms energy: -747.603404 where: bonds (distance) C4'-P energy: -133.800 bonds (distance) P-C4' energy: -127.543 flat angles C4'-P-C4' energy: -146.663 flat angles P-C4'-P energy: -106.909 tors. eta vs tors. theta energy: -232.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2568.823903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.823903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.823903 (E_RNA) where: Base-Base interactions energy: -1805.669 where: short stacking energy: -751.689 Base-Backbone interact. energy: -1.712 local terms energy: -761.442971 where: bonds (distance) C4'-P energy: -134.409 bonds (distance) P-C4' energy: -120.417 flat angles C4'-P-C4' energy: -156.182 flat angles P-C4'-P energy: -119.454 tors. eta vs tors. theta energy: -230.981 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: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2450.027499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.027499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.027499 (E_RNA) where: Base-Base interactions energy: -1725.615 where: short stacking energy: -734.145 Base-Backbone interact. energy: 4.059 local terms energy: -728.471916 where: bonds (distance) C4'-P energy: -121.229 bonds (distance) P-C4' energy: -127.839 flat angles C4'-P-C4' energy: -151.673 flat angles P-C4'-P energy: -100.396 tors. eta vs tors. theta energy: -227.335 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: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2380.146722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.146722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.146722 (E_RNA) where: Base-Base interactions energy: -1703.413 where: short stacking energy: -689.487 Base-Backbone interact. energy: 1.539 local terms energy: -678.273148 where: bonds (distance) C4'-P energy: -117.964 bonds (distance) P-C4' energy: -112.492 flat angles C4'-P-C4' energy: -153.917 flat angles P-C4'-P energy: -87.961 tors. eta vs tors. theta energy: -205.938 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: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2235.065332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.065332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.065332 (E_RNA) where: Base-Base interactions energy: -1566.100 where: short stacking energy: -664.331 Base-Backbone interact. energy: -4.259 local terms energy: -664.705550 where: bonds (distance) C4'-P energy: -106.668 bonds (distance) P-C4' energy: -118.880 flat angles C4'-P-C4' energy: -146.987 flat angles P-C4'-P energy: -94.836 tors. eta vs tors. theta energy: -197.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1811.627581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.627581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.627581 (E_RNA) where: Base-Base interactions energy: -1216.624 where: short stacking energy: -520.911 Base-Backbone interact. energy: -1.634 local terms energy: -593.369356 where: bonds (distance) C4'-P energy: -98.537 bonds (distance) P-C4' energy: -114.017 flat angles C4'-P-C4' energy: -144.108 flat angles P-C4'-P energy: -96.540 tors. eta vs tors. theta energy: -140.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1563.380173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.380173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.380173 (E_RNA) where: Base-Base interactions energy: -1042.823 where: short stacking energy: -437.911 Base-Backbone interact. energy: -3.740 local terms energy: -516.817039 where: bonds (distance) C4'-P energy: -96.372 bonds (distance) P-C4' energy: -110.192 flat angles C4'-P-C4' energy: -129.002 flat angles P-C4'-P energy: -78.571 tors. eta vs tors. theta energy: -102.680 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: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1501.375239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.375239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.375239 (E_RNA) where: Base-Base interactions energy: -993.416 where: short stacking energy: -435.718 Base-Backbone interact. energy: -1.001 local terms energy: -506.958192 where: bonds (distance) C4'-P energy: -106.413 bonds (distance) P-C4' energy: -106.562 flat angles C4'-P-C4' energy: -127.500 flat angles P-C4'-P energy: -64.702 tors. eta vs tors. theta energy: -101.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1042.281799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.281799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.281799 (E_RNA) where: Base-Base interactions energy: -640.488 where: short stacking energy: -270.730 Base-Backbone interact. energy: -1.676 local terms energy: -400.118323 where: bonds (distance) C4'-P energy: -114.500 bonds (distance) P-C4' energy: -113.525 flat angles C4'-P-C4' energy: -105.887 flat angles P-C4'-P energy: -50.285 tors. eta vs tors. theta energy: -15.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2655.021840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.021840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.021840 (E_RNA) where: Base-Base interactions energy: -1893.702 where: short stacking energy: -781.609 Base-Backbone interact. energy: -0.870 local terms energy: -760.449393 where: bonds (distance) C4'-P energy: -130.394 bonds (distance) P-C4' energy: -126.587 flat angles C4'-P-C4' energy: -149.454 flat angles P-C4'-P energy: -120.050 tors. eta vs tors. theta energy: -233.964 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: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2588.441710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.441710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.441710 (E_RNA) where: Base-Base interactions energy: -1832.942 where: short stacking energy: -755.309 Base-Backbone interact. energy: -3.144 local terms energy: -752.356171 where: bonds (distance) C4'-P energy: -127.313 bonds (distance) P-C4' energy: -123.341 flat angles C4'-P-C4' energy: -157.131 flat angles P-C4'-P energy: -110.936 tors. eta vs tors. theta energy: -233.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2529.833799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.833799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.833799 (E_RNA) where: Base-Base interactions energy: -1821.409 where: short stacking energy: -746.168 Base-Backbone interact. energy: -1.405 local terms energy: -707.019577 where: bonds (distance) C4'-P energy: -115.164 bonds (distance) P-C4' energy: -117.067 flat angles C4'-P-C4' energy: -146.342 flat angles P-C4'-P energy: -93.589 tors. eta vs tors. theta energy: -234.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2419.779395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.779395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.779395 (E_RNA) where: Base-Base interactions energy: -1700.953 where: short stacking energy: -688.316 Base-Backbone interact. energy: -0.531 local terms energy: -718.294999 where: bonds (distance) C4'-P energy: -115.782 bonds (distance) P-C4' energy: -136.894 flat angles C4'-P-C4' energy: -147.147 flat angles P-C4'-P energy: -114.474 tors. eta vs tors. theta energy: -203.998 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: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2389.679696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.679696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.679696 (E_RNA) where: Base-Base interactions energy: -1692.182 where: short stacking energy: -720.989 Base-Backbone interact. energy: -2.496 local terms energy: -695.002369 where: bonds (distance) C4'-P energy: -114.342 bonds (distance) P-C4' energy: -109.514 flat angles C4'-P-C4' energy: -156.183 flat angles P-C4'-P energy: -86.813 tors. eta vs tors. theta energy: -228.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2229.810315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.810315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.810315 (E_RNA) where: Base-Base interactions energy: -1566.904 where: short stacking energy: -645.690 Base-Backbone interact. energy: -0.364 local terms energy: -662.542387 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -105.057 flat angles C4'-P-C4' energy: -153.424 flat angles P-C4'-P energy: -89.126 tors. eta vs tors. theta energy: -199.690 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: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1820.938426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.938426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.938426 (E_RNA) where: Base-Base interactions energy: -1249.385 where: short stacking energy: -522.450 Base-Backbone interact. energy: -2.209 local terms energy: -569.344456 where: bonds (distance) C4'-P energy: -109.092 bonds (distance) P-C4' energy: -110.177 flat angles C4'-P-C4' energy: -139.293 flat angles P-C4'-P energy: -75.588 tors. eta vs tors. theta energy: -135.194 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: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1552.545519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.545519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.545519 (E_RNA) where: Base-Base interactions energy: -1034.715 where: short stacking energy: -461.469 Base-Backbone interact. energy: -2.096 local terms energy: -515.734922 where: bonds (distance) C4'-P energy: -92.782 bonds (distance) P-C4' energy: -114.491 flat angles C4'-P-C4' energy: -121.352 flat angles P-C4'-P energy: -80.743 tors. eta vs tors. theta energy: -106.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1558.058832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.058832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.058832 (E_RNA) where: Base-Base interactions energy: -1054.506 where: short stacking energy: -466.424 Base-Backbone interact. energy: 2.277 local terms energy: -505.830030 where: bonds (distance) C4'-P energy: -96.615 bonds (distance) P-C4' energy: -107.171 flat angles C4'-P-C4' energy: -119.363 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -107.517 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: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1062.416175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.416175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.416175 (E_RNA) where: Base-Base interactions energy: -652.559 where: short stacking energy: -286.084 Base-Backbone interact. energy: 0.574 local terms energy: -410.431258 where: bonds (distance) C4'-P energy: -110.728 bonds (distance) P-C4' energy: -87.984 flat angles C4'-P-C4' energy: -103.596 flat angles P-C4'-P energy: -69.441 tors. eta vs tors. theta energy: -38.681 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: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2682.811789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.811789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.811789 (E_RNA) where: Base-Base interactions energy: -1916.755 where: short stacking energy: -777.937 Base-Backbone interact. energy: -0.724 local terms energy: -765.332539 where: bonds (distance) C4'-P energy: -138.487 bonds (distance) P-C4' energy: -132.914 flat angles C4'-P-C4' energy: -152.443 flat angles P-C4'-P energy: -105.221 tors. eta vs tors. theta energy: -236.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2580.389568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.389568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.389568 (E_RNA) where: Base-Base interactions energy: -1844.672 where: short stacking energy: -761.198 Base-Backbone interact. energy: -2.032 local terms energy: -733.684999 where: bonds (distance) C4'-P energy: -128.440 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -148.733 flat angles P-C4'-P energy: -101.370 tors. eta vs tors. theta energy: -233.888 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: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2527.922762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.922762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.922762 (E_RNA) where: Base-Base interactions energy: -1806.533 where: short stacking energy: -736.419 Base-Backbone interact. energy: -1.239 local terms energy: -720.150597 where: bonds (distance) C4'-P energy: -133.622 bonds (distance) P-C4' energy: -119.169 flat angles C4'-P-C4' energy: -144.821 flat angles P-C4'-P energy: -97.961 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: 4, replica: 1 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2447.566521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.566521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.566521 (E_RNA) where: Base-Base interactions energy: -1753.639 where: short stacking energy: -708.358 Base-Backbone interact. energy: -0.578 local terms energy: -693.348585 where: bonds (distance) C4'-P energy: -125.607 bonds (distance) P-C4' energy: -126.732 flat angles C4'-P-C4' energy: -143.750 flat angles P-C4'-P energy: -90.035 tors. eta vs tors. theta energy: -207.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2366.167758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.167758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.167758 (E_RNA) where: Base-Base interactions energy: -1674.100 where: short stacking energy: -680.162 Base-Backbone interact. energy: -0.826 local terms energy: -691.241866 where: bonds (distance) C4'-P energy: -114.964 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -141.177 flat angles P-C4'-P energy: -96.080 tors. eta vs tors. theta energy: -214.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2241.861404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.861404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.861404 (E_RNA) where: Base-Base interactions energy: -1580.981 where: short stacking energy: -669.155 Base-Backbone interact. energy: 0.240 local terms energy: -661.121139 where: bonds (distance) C4'-P energy: -86.006 bonds (distance) P-C4' energy: -128.787 flat angles C4'-P-C4' energy: -139.924 flat angles P-C4'-P energy: -102.974 tors. eta vs tors. theta energy: -203.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1782.134102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.134102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.134102 (E_RNA) where: Base-Base interactions energy: -1205.797 where: short stacking energy: -498.922 Base-Backbone interact. energy: -0.982 local terms energy: -575.354911 where: bonds (distance) C4'-P energy: -118.483 bonds (distance) P-C4' energy: -125.043 flat angles C4'-P-C4' energy: -124.965 flat angles P-C4'-P energy: -81.114 tors. eta vs tors. theta energy: -125.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1594.897886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.897886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.897886 (E_RNA) where: Base-Base interactions energy: -1053.466 where: short stacking energy: -442.834 Base-Backbone interact. energy: 1.307 local terms energy: -542.739628 where: bonds (distance) C4'-P energy: -117.395 bonds (distance) P-C4' energy: -109.590 flat angles C4'-P-C4' energy: -124.028 flat angles P-C4'-P energy: -83.805 tors. eta vs tors. theta energy: -107.922 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: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1438.134057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.134057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.134057 (E_RNA) where: Base-Base interactions energy: -960.889 where: short stacking energy: -416.566 Base-Backbone interact. energy: -1.354 local terms energy: -475.891252 where: bonds (distance) C4'-P energy: -105.809 bonds (distance) P-C4' energy: -98.869 flat angles C4'-P-C4' energy: -126.137 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: -92.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1046.056403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.056403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.056403 (E_RNA) where: Base-Base interactions energy: -678.763 where: short stacking energy: -301.394 Base-Backbone interact. energy: 6.626 local terms energy: -373.919774 where: bonds (distance) C4'-P energy: -77.026 bonds (distance) P-C4' energy: -104.321 flat angles C4'-P-C4' energy: -101.083 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: -39.897 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: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2656.359307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.359307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.359307 (E_RNA) where: Base-Base interactions energy: -1902.887 where: short stacking energy: -768.682 Base-Backbone interact. energy: -1.051 local terms energy: -752.421887 where: bonds (distance) C4'-P energy: -127.799 bonds (distance) P-C4' energy: -134.656 flat angles C4'-P-C4' energy: -153.931 flat angles P-C4'-P energy: -102.575 tors. eta vs tors. theta energy: -233.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2589.235652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.235652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.235652 (E_RNA) where: Base-Base interactions energy: -1844.854 where: short stacking energy: -753.456 Base-Backbone interact. energy: -3.273 local terms energy: -741.107711 where: bonds (distance) C4'-P energy: -127.608 bonds (distance) P-C4' energy: -128.856 flat angles C4'-P-C4' energy: -157.395 flat angles P-C4'-P energy: -96.084 tors. eta vs tors. theta energy: -231.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2520.894653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.894653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.894653 (E_RNA) where: Base-Base interactions energy: -1780.188 where: short stacking energy: -746.649 Base-Backbone interact. energy: -2.787 local terms energy: -737.919474 where: bonds (distance) C4'-P energy: -124.913 bonds (distance) P-C4' energy: -126.386 flat angles C4'-P-C4' energy: -150.101 flat angles P-C4'-P energy: -104.074 tors. eta vs tors. theta energy: -232.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2420.901585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.901585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.901585 (E_RNA) where: Base-Base interactions energy: -1716.838 where: short stacking energy: -698.050 Base-Backbone interact. energy: 2.684 local terms energy: -706.747737 where: bonds (distance) C4'-P energy: -107.830 bonds (distance) P-C4' energy: -124.351 flat angles C4'-P-C4' energy: -151.431 flat angles P-C4'-P energy: -108.540 tors. eta vs tors. theta energy: -214.596 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: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2366.450468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.450468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.450468 (E_RNA) where: Base-Base interactions energy: -1683.436 where: short stacking energy: -679.201 Base-Backbone interact. energy: -0.732 local terms energy: -682.282413 where: bonds (distance) C4'-P energy: -104.344 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -149.662 flat angles P-C4'-P energy: -105.999 tors. eta vs tors. theta energy: -211.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2248.617286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.617286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.617286 (E_RNA) where: Base-Base interactions energy: -1579.769 where: short stacking energy: -666.232 Base-Backbone interact. energy: -2.596 local terms energy: -666.252360 where: bonds (distance) C4'-P energy: -102.205 bonds (distance) P-C4' energy: -122.870 flat angles C4'-P-C4' energy: -144.378 flat angles P-C4'-P energy: -92.867 tors. eta vs tors. theta energy: -203.932 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: 163 Temperature: 1.200000 Total energy: -1829.457224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.457224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.457224 (E_RNA) where: Base-Base interactions energy: -1246.199 where: short stacking energy: -543.725 Base-Backbone interact. energy: 1.648 local terms energy: -584.906287 where: bonds (distance) C4'-P energy: -100.989 bonds (distance) P-C4' energy: -117.036 flat angles C4'-P-C4' energy: -129.168 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -158.611 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: 8, replica: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1621.088073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.088073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.088073 (E_RNA) where: Base-Base interactions energy: -1088.870 where: short stacking energy: -462.703 Base-Backbone interact. energy: -1.157 local terms energy: -531.060836 where: bonds (distance) C4'-P energy: -123.182 bonds (distance) P-C4' energy: -109.733 flat angles C4'-P-C4' energy: -124.116 flat angles P-C4'-P energy: -63.725 tors. eta vs tors. theta energy: -110.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1487.309038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.309038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.309038 (E_RNA) where: Base-Base interactions energy: -990.360 where: short stacking energy: -430.360 Base-Backbone interact. energy: -2.570 local terms energy: -494.378417 where: bonds (distance) C4'-P energy: -109.707 bonds (distance) P-C4' energy: -117.320 flat angles C4'-P-C4' energy: -120.914 flat angles P-C4'-P energy: -54.984 tors. eta vs tors. theta energy: -91.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1065.745785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.745785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.745785 (E_RNA) where: Base-Base interactions energy: -655.870 where: short stacking energy: -292.671 Base-Backbone interact. energy: 0.113 local terms energy: -409.989192 where: bonds (distance) C4'-P energy: -90.570 bonds (distance) P-C4' energy: -116.324 flat angles C4'-P-C4' energy: -102.882 flat angles P-C4'-P energy: -65.742 tors. eta vs tors. theta energy: -34.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2671.846727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.846727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.846727 (E_RNA) where: Base-Base interactions energy: -1892.966 where: short stacking energy: -776.904 Base-Backbone interact. energy: -1.897 local terms energy: -776.984216 where: bonds (distance) C4'-P energy: -139.484 bonds (distance) P-C4' energy: -146.485 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -105.063 tors. eta vs tors. theta energy: -236.655 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: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2596.798898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.798898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.798898 (E_RNA) where: Base-Base interactions energy: -1825.829 where: short stacking energy: -753.952 Base-Backbone interact. energy: -1.013 local terms energy: -769.956784 where: bonds (distance) C4'-P energy: -133.931 bonds (distance) P-C4' energy: -140.584 flat angles C4'-P-C4' energy: -152.724 flat angles P-C4'-P energy: -109.410 tors. eta vs tors. theta energy: -233.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2507.177724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.177724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.177724 (E_RNA) where: Base-Base interactions energy: -1769.786 where: short stacking energy: -715.401 Base-Backbone interact. energy: -0.341 local terms energy: -737.050269 where: bonds (distance) C4'-P energy: -140.929 bonds (distance) P-C4' energy: -129.570 flat angles C4'-P-C4' energy: -147.905 flat angles P-C4'-P energy: -93.621 tors. eta vs tors. theta energy: -225.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2427.445137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.445137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.445137 (E_RNA) where: Base-Base interactions energy: -1727.924 where: short stacking energy: -716.464 Base-Backbone interact. energy: 2.197 local terms energy: -701.718361 where: bonds (distance) C4'-P energy: -129.203 bonds (distance) P-C4' energy: -119.808 flat angles C4'-P-C4' energy: -152.645 flat angles P-C4'-P energy: -80.847 tors. eta vs tors. theta energy: -219.214 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: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2350.189532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.189532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.189532 (E_RNA) where: Base-Base interactions energy: -1651.142 where: short stacking energy: -681.130 Base-Backbone interact. energy: 2.112 local terms energy: -701.159971 where: bonds (distance) C4'-P energy: -128.386 bonds (distance) P-C4' energy: -119.644 flat angles C4'-P-C4' energy: -150.849 flat angles P-C4'-P energy: -97.235 tors. eta vs tors. theta energy: -205.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2222.281153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.281153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.281153 (E_RNA) where: Base-Base interactions energy: -1551.766 where: short stacking energy: -664.662 Base-Backbone interact. energy: -1.194 local terms energy: -669.321450 where: bonds (distance) C4'-P energy: -87.649 bonds (distance) P-C4' energy: -121.909 flat angles C4'-P-C4' energy: -152.462 flat angles P-C4'-P energy: -105.165 tors. eta vs tors. theta energy: -202.137 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: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1830.955535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.955535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.955535 (E_RNA) where: Base-Base interactions energy: -1245.257 where: short stacking energy: -516.499 Base-Backbone interact. energy: -0.575 local terms energy: -585.123730 where: bonds (distance) C4'-P energy: -95.510 bonds (distance) P-C4' energy: -116.332 flat angles C4'-P-C4' energy: -140.182 flat angles P-C4'-P energy: -95.768 tors. eta vs tors. theta energy: -137.331 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: 164 Temperature: 1.250000 Total energy: -1631.932799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.932799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.932799 (E_RNA) where: Base-Base interactions energy: -1080.094 where: short stacking energy: -461.021 Base-Backbone interact. energy: 2.914 local terms energy: -554.752108 where: bonds (distance) C4'-P energy: -111.583 bonds (distance) P-C4' energy: -112.590 flat angles C4'-P-C4' energy: -126.121 flat angles P-C4'-P energy: -83.719 tors. eta vs tors. theta energy: -120.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1481.729815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.729815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.729815 (E_RNA) where: Base-Base interactions energy: -973.471 where: short stacking energy: -426.259 Base-Backbone interact. energy: -4.477 local terms energy: -503.781603 where: bonds (distance) C4'-P energy: -112.379 bonds (distance) P-C4' energy: -110.557 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -55.840 tors. eta vs tors. theta energy: -103.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1025.360867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.360867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.360867 (E_RNA) where: Base-Base interactions energy: -639.186 where: short stacking energy: -301.373 Base-Backbone interact. energy: 3.477 local terms energy: -389.652090 where: bonds (distance) C4'-P energy: -109.032 bonds (distance) P-C4' energy: -119.801 flat angles C4'-P-C4' energy: -72.554 flat angles P-C4'-P energy: -49.279 tors. eta vs tors. theta energy: -38.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2644.533361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.533361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.533361 (E_RNA) where: Base-Base interactions energy: -1893.324 where: short stacking energy: -778.761 Base-Backbone interact. energy: -2.063 local terms energy: -749.146841 where: bonds (distance) C4'-P energy: -129.718 bonds (distance) P-C4' energy: -132.750 flat angles C4'-P-C4' energy: -157.611 flat angles P-C4'-P energy: -100.209 tors. eta vs tors. theta energy: -228.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2628.323461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.323461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.323461 (E_RNA) where: Base-Base interactions energy: -1843.372 where: short stacking energy: -762.828 Base-Backbone interact. energy: -0.996 local terms energy: -783.955992 where: bonds (distance) C4'-P energy: -133.414 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -160.058 flat angles P-C4'-P energy: -114.223 tors. eta vs tors. theta energy: -230.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2533.742453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.742453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.742453 (E_RNA) where: Base-Base interactions energy: -1781.057 where: short stacking energy: -725.394 Base-Backbone interact. energy: -1.672 local terms energy: -751.013724 where: bonds (distance) C4'-P energy: -129.322 bonds (distance) P-C4' energy: -143.809 flat angles C4'-P-C4' energy: -151.173 flat angles P-C4'-P energy: -97.301 tors. eta vs tors. theta energy: -229.409 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: 165 Temperature: 1.050000 Total energy: -2404.901809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.901809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.901809 (E_RNA) where: Base-Base interactions energy: -1710.893 where: short stacking energy: -716.229 Base-Backbone interact. energy: -2.122 local terms energy: -691.886617 where: bonds (distance) C4'-P energy: -125.820 bonds (distance) P-C4' energy: -122.991 flat angles C4'-P-C4' energy: -143.114 flat angles P-C4'-P energy: -88.772 tors. eta vs tors. theta energy: -211.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2333.741132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.741132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.741132 (E_RNA) where: Base-Base interactions energy: -1654.528 where: short stacking energy: -686.993 Base-Backbone interact. energy: -1.370 local terms energy: -677.843009 where: bonds (distance) C4'-P energy: -126.129 bonds (distance) P-C4' energy: -119.522 flat angles C4'-P-C4' energy: -140.030 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -208.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2252.937503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.937503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.937503 (E_RNA) where: Base-Base interactions energy: -1561.780 where: short stacking energy: -626.828 Base-Backbone interact. energy: -1.976 local terms energy: -689.181214 where: bonds (distance) C4'-P energy: -110.286 bonds (distance) P-C4' energy: -124.027 flat angles C4'-P-C4' energy: -157.744 flat angles P-C4'-P energy: -95.356 tors. eta vs tors. theta energy: -201.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1876.056509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.056509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.056509 (E_RNA) where: Base-Base interactions energy: -1249.488 where: short stacking energy: -522.680 Base-Backbone interact. energy: -4.333 local terms energy: -622.235984 where: bonds (distance) C4'-P energy: -122.391 bonds (distance) P-C4' energy: -107.331 flat angles C4'-P-C4' energy: -146.933 flat angles P-C4'-P energy: -88.300 tors. eta vs tors. theta energy: -157.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1660.769419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.769419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.769419 (E_RNA) where: Base-Base interactions energy: -1108.146 where: short stacking energy: -493.180 Base-Backbone interact. energy: 0.286 local terms energy: -552.909207 where: bonds (distance) C4'-P energy: -104.596 bonds (distance) P-C4' energy: -109.444 flat angles C4'-P-C4' energy: -139.765 flat angles P-C4'-P energy: -64.846 tors. eta vs tors. theta energy: -134.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1466.543238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.543238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.543238 (E_RNA) where: Base-Base interactions energy: -976.513 where: short stacking energy: -440.990 Base-Backbone interact. energy: -3.914 local terms energy: -486.116704 where: bonds (distance) C4'-P energy: -104.454 bonds (distance) P-C4' energy: -122.273 flat angles C4'-P-C4' energy: -101.946 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -107.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1044.284201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.284201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.284201 (E_RNA) where: Base-Base interactions energy: -639.242 where: short stacking energy: -308.513 Base-Backbone interact. energy: -2.675 local terms energy: -402.367364 where: bonds (distance) C4'-P energy: -102.205 bonds (distance) P-C4' energy: -123.490 flat angles C4'-P-C4' energy: -89.640 flat angles P-C4'-P energy: -42.777 tors. eta vs tors. theta energy: -44.256 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: 1, replica: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2643.570031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.570031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.570031 (E_RNA) where: Base-Base interactions energy: -1879.224 where: short stacking energy: -770.554 Base-Backbone interact. energy: -1.979 local terms energy: -762.367764 where: bonds (distance) C4'-P energy: -125.673 bonds (distance) P-C4' energy: -137.612 flat angles C4'-P-C4' energy: -147.676 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -241.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2608.512696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.512696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.512696 (E_RNA) where: Base-Base interactions energy: -1822.637 where: short stacking energy: -761.502 Base-Backbone interact. energy: -1.484 local terms energy: -784.391101 where: bonds (distance) C4'-P energy: -136.413 bonds (distance) P-C4' energy: -131.207 flat angles C4'-P-C4' energy: -169.204 flat angles P-C4'-P energy: -116.692 tors. eta vs tors. theta energy: -230.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2521.083741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.083741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.083741 (E_RNA) where: Base-Base interactions energy: -1798.672 where: short stacking energy: -745.714 Base-Backbone interact. energy: -0.464 local terms energy: -721.947572 where: bonds (distance) C4'-P energy: -124.910 bonds (distance) P-C4' energy: -127.849 flat angles C4'-P-C4' energy: -144.447 flat angles P-C4'-P energy: -94.878 tors. eta vs tors. theta energy: -229.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2410.902639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.902639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.902639 (E_RNA) where: Base-Base interactions energy: -1701.206 where: short stacking energy: -705.851 Base-Backbone interact. energy: -0.516 local terms energy: -709.180659 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -137.670 flat angles C4'-P-C4' energy: -145.306 flat angles P-C4'-P energy: -84.199 tors. eta vs tors. theta energy: -217.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2363.458215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.458215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.458215 (E_RNA) where: Base-Base interactions energy: -1642.173 where: short stacking energy: -668.760 Base-Backbone interact. energy: -1.938 local terms energy: -719.347356 where: bonds (distance) C4'-P energy: -125.318 bonds (distance) P-C4' energy: -131.688 flat angles C4'-P-C4' energy: -150.731 flat angles P-C4'-P energy: -101.285 tors. eta vs tors. theta energy: -210.325 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: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2250.957358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.957358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.957358 (E_RNA) where: Base-Base interactions energy: -1601.271 where: short stacking energy: -673.679 Base-Backbone interact. energy: 0.887 local terms energy: -650.573278 where: bonds (distance) C4'-P energy: -106.590 bonds (distance) P-C4' energy: -115.070 flat angles C4'-P-C4' energy: -146.473 flat angles P-C4'-P energy: -85.354 tors. eta vs tors. theta energy: -197.086 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: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1864.595514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.595514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.595514 (E_RNA) where: Base-Base interactions energy: -1310.658 where: short stacking energy: -555.842 Base-Backbone interact. energy: 1.965 local terms energy: -555.903226 where: bonds (distance) C4'-P energy: -96.387 bonds (distance) P-C4' energy: -111.600 flat angles C4'-P-C4' energy: -128.831 flat angles P-C4'-P energy: -74.171 tors. eta vs tors. theta energy: -144.914 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: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1642.989976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.989976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.989976 (E_RNA) where: Base-Base interactions energy: -1137.708 where: short stacking energy: -463.788 Base-Backbone interact. energy: -1.592 local terms energy: -503.690395 where: bonds (distance) C4'-P energy: -77.217 bonds (distance) P-C4' energy: -107.705 flat angles C4'-P-C4' energy: -127.308 flat angles P-C4'-P energy: -87.997 tors. eta vs tors. theta energy: -103.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1481.679320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.679320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.679320 (E_RNA) where: Base-Base interactions energy: -1011.437 where: short stacking energy: -447.052 Base-Backbone interact. energy: 3.738 local terms energy: -473.980490 where: bonds (distance) C4'-P energy: -98.431 bonds (distance) P-C4' energy: -92.661 flat angles C4'-P-C4' energy: -116.263 flat angles P-C4'-P energy: -74.381 tors. eta vs tors. theta energy: -92.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1033.236216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.236216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.236216 (E_RNA) where: Base-Base interactions energy: -614.426 where: short stacking energy: -270.483 Base-Backbone interact. energy: 1.058 local terms energy: -419.868457 where: bonds (distance) C4'-P energy: -101.976 bonds (distance) P-C4' energy: -105.182 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -66.954 tors. eta vs tors. theta energy: -41.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2662.268195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.268195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.268195 (E_RNA) where: Base-Base interactions energy: -1921.563 where: short stacking energy: -782.053 Base-Backbone interact. energy: -0.550 local terms energy: -740.155652 where: bonds (distance) C4'-P energy: -132.991 bonds (distance) P-C4' energy: -124.591 flat angles C4'-P-C4' energy: -148.787 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -233.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2601.317899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.317899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.317899 (E_RNA) where: Base-Base interactions energy: -1841.617 where: short stacking energy: -754.037 Base-Backbone interact. energy: -1.764 local terms energy: -757.935975 where: bonds (distance) C4'-P energy: -131.123 bonds (distance) P-C4' energy: -129.801 flat angles C4'-P-C4' energy: -150.782 flat angles P-C4'-P energy: -107.324 tors. eta vs tors. theta energy: -238.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2532.803253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.803253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.803253 (E_RNA) where: Base-Base interactions energy: -1813.204 where: short stacking energy: -751.415 Base-Backbone interact. energy: -2.412 local terms energy: -717.187346 where: bonds (distance) C4'-P energy: -115.594 bonds (distance) P-C4' energy: -125.161 flat angles C4'-P-C4' energy: -154.120 flat angles P-C4'-P energy: -91.895 tors. eta vs tors. theta energy: -230.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2373.025372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.025372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.025372 (E_RNA) where: Base-Base interactions energy: -1670.495 where: short stacking energy: -680.175 Base-Backbone interact. energy: -0.276 local terms energy: -702.255042 where: bonds (distance) C4'-P energy: -120.057 bonds (distance) P-C4' energy: -137.185 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -99.501 tors. eta vs tors. theta energy: -198.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2394.990570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.990570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.990570 (E_RNA) where: Base-Base interactions energy: -1698.124 where: short stacking energy: -700.577 Base-Backbone interact. energy: 2.153 local terms energy: -699.020242 where: bonds (distance) C4'-P energy: -126.480 bonds (distance) P-C4' energy: -117.947 flat angles C4'-P-C4' energy: -153.608 flat angles P-C4'-P energy: -84.706 tors. eta vs tors. theta energy: -216.279 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: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2230.207469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.207469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.207469 (E_RNA) where: Base-Base interactions energy: -1587.482 where: short stacking energy: -661.955 Base-Backbone interact. energy: 1.188 local terms energy: -643.914094 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -117.474 flat angles C4'-P-C4' energy: -138.523 flat angles P-C4'-P energy: -93.835 tors. eta vs tors. theta energy: -201.011 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: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1798.129147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.129147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.129147 (E_RNA) where: Base-Base interactions energy: -1235.745 where: short stacking energy: -535.318 Base-Backbone interact. energy: 2.839 local terms energy: -565.222492 where: bonds (distance) C4'-P energy: -114.552 bonds (distance) P-C4' energy: -115.727 flat angles C4'-P-C4' energy: -119.654 flat angles P-C4'-P energy: -75.289 tors. eta vs tors. theta energy: -140.000 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: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1683.372177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.372177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.372177 (E_RNA) where: Base-Base interactions energy: -1153.699 where: short stacking energy: -501.304 Base-Backbone interact. energy: -1.457 local terms energy: -528.216513 where: bonds (distance) C4'-P energy: -96.186 bonds (distance) P-C4' energy: -111.385 flat angles C4'-P-C4' energy: -126.224 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -125.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1417.259185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.259185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.259185 (E_RNA) where: Base-Base interactions energy: -932.083 where: short stacking energy: -396.887 Base-Backbone interact. energy: -1.055 local terms energy: -484.121399 where: bonds (distance) C4'-P energy: -76.692 bonds (distance) P-C4' energy: -124.887 flat angles C4'-P-C4' energy: -134.528 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -85.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1037.742522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.742522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.742522 (E_RNA) where: Base-Base interactions energy: -636.560 where: short stacking energy: -303.180 Base-Backbone interact. energy: 6.437 local terms energy: -407.620297 where: bonds (distance) C4'-P energy: -97.032 bonds (distance) P-C4' energy: -97.536 flat angles C4'-P-C4' energy: -92.341 flat angles P-C4'-P energy: -65.267 tors. eta vs tors. theta energy: -55.444 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: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2637.277350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.277350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.277350 (E_RNA) where: Base-Base interactions energy: -1858.290 where: short stacking energy: -759.699 Base-Backbone interact. energy: -2.876 local terms energy: -776.111715 where: bonds (distance) C4'-P energy: -128.491 bonds (distance) P-C4' energy: -147.671 flat angles C4'-P-C4' energy: -162.820 flat angles P-C4'-P energy: -103.744 tors. eta vs tors. theta energy: -233.385 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: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2603.488934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.488934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.488934 (E_RNA) where: Base-Base interactions energy: -1875.866 where: short stacking energy: -753.295 Base-Backbone interact. energy: -1.510 local terms energy: -726.112875 where: bonds (distance) C4'-P energy: -110.209 bonds (distance) P-C4' energy: -139.554 flat angles C4'-P-C4' energy: -148.076 flat angles P-C4'-P energy: -90.708 tors. eta vs tors. theta energy: -237.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2522.624368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.624368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.624368 (E_RNA) where: Base-Base interactions energy: -1788.867 where: short stacking energy: -731.052 Base-Backbone interact. energy: -2.769 local terms energy: -730.988294 where: bonds (distance) C4'-P energy: -125.061 bonds (distance) P-C4' energy: -126.913 flat angles C4'-P-C4' energy: -150.770 flat angles P-C4'-P energy: -101.020 tors. eta vs tors. theta energy: -227.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2426.355248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.355248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.355248 (E_RNA) where: Base-Base interactions energy: -1713.249 where: short stacking energy: -714.067 Base-Backbone interact. energy: 0.299 local terms energy: -713.405103 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -138.457 flat angles C4'-P-C4' energy: -143.150 flat angles P-C4'-P energy: -99.177 tors. eta vs tors. theta energy: -214.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2360.364233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.364233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.364233 (E_RNA) where: Base-Base interactions energy: -1646.865 where: short stacking energy: -686.588 Base-Backbone interact. energy: 0.153 local terms energy: -713.651694 where: bonds (distance) C4'-P energy: -134.328 bonds (distance) P-C4' energy: -118.310 flat angles C4'-P-C4' energy: -148.128 flat angles P-C4'-P energy: -104.770 tors. eta vs tors. theta energy: -208.116 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: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2222.170506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.170506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.170506 (E_RNA) where: Base-Base interactions energy: -1567.924 where: short stacking energy: -655.926 Base-Backbone interact. energy: -1.256 local terms energy: -652.989957 where: bonds (distance) C4'-P energy: -115.781 bonds (distance) P-C4' energy: -111.881 flat angles C4'-P-C4' energy: -129.472 flat angles P-C4'-P energy: -81.947 tors. eta vs tors. theta energy: -213.908 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: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1842.762981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.762981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.762981 (E_RNA) where: Base-Base interactions energy: -1286.771 where: short stacking energy: -544.607 Base-Backbone interact. energy: -2.310 local terms energy: -553.682459 where: bonds (distance) C4'-P energy: -102.948 bonds (distance) P-C4' energy: -109.061 flat angles C4'-P-C4' energy: -134.119 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -132.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1685.160200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.160200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.160200 (E_RNA) where: Base-Base interactions energy: -1155.472 where: short stacking energy: -501.845 Base-Backbone interact. energy: -2.003 local terms energy: -527.684755 where: bonds (distance) C4'-P energy: -81.543 bonds (distance) P-C4' energy: -130.649 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -73.584 tors. eta vs tors. theta energy: -122.162 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: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1433.022091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.022091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.022091 (E_RNA) where: Base-Base interactions energy: -941.051 where: short stacking energy: -401.801 Base-Backbone interact. energy: 0.857 local terms energy: -492.827969 where: bonds (distance) C4'-P energy: -99.866 bonds (distance) P-C4' energy: -110.475 flat angles C4'-P-C4' energy: -115.266 flat angles P-C4'-P energy: -74.533 tors. eta vs tors. theta energy: -92.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1085.626822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.626822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.626822 (E_RNA) where: Base-Base interactions energy: -674.419 where: short stacking energy: -330.276 Base-Backbone interact. energy: -2.353 local terms energy: -408.855396 where: bonds (distance) C4'-P energy: -60.395 bonds (distance) P-C4' energy: -113.434 flat angles C4'-P-C4' energy: -111.276 flat angles P-C4'-P energy: -69.914 tors. eta vs tors. theta energy: -53.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2635.318717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.318717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.318717 (E_RNA) where: Base-Base interactions energy: -1879.029 where: short stacking energy: -780.639 Base-Backbone interact. energy: -3.275 local terms energy: -753.014258 where: bonds (distance) C4'-P energy: -133.353 bonds (distance) P-C4' energy: -123.350 flat angles C4'-P-C4' energy: -148.218 flat angles P-C4'-P energy: -113.335 tors. eta vs tors. theta energy: -234.758 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: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2579.225023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.225023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.225023 (E_RNA) where: Base-Base interactions energy: -1821.039 where: short stacking energy: -736.110 Base-Backbone interact. energy: 2.438 local terms energy: -760.624592 where: bonds (distance) C4'-P energy: -144.530 bonds (distance) P-C4' energy: -121.427 flat angles C4'-P-C4' energy: -160.717 flat angles P-C4'-P energy: -106.816 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: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2563.528693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.528693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.528693 (E_RNA) where: Base-Base interactions energy: -1829.314 where: short stacking energy: -737.584 Base-Backbone interact. energy: -0.468 local terms energy: -733.746507 where: bonds (distance) C4'-P energy: -130.276 bonds (distance) P-C4' energy: -123.220 flat angles C4'-P-C4' energy: -140.579 flat angles P-C4'-P energy: -109.571 tors. eta vs tors. theta energy: -230.100 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: 4, replica: 1 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2384.954122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.954122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.954122 (E_RNA) where: Base-Base interactions energy: -1686.067 where: short stacking energy: -689.629 Base-Backbone interact. energy: -1.607 local terms energy: -697.279974 where: bonds (distance) C4'-P energy: -118.184 bonds (distance) P-C4' energy: -120.098 flat angles C4'-P-C4' energy: -142.200 flat angles P-C4'-P energy: -112.500 tors. eta vs tors. theta energy: -204.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2360.885163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.885163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.885163 (E_RNA) where: Base-Base interactions energy: -1665.570 where: short stacking energy: -681.898 Base-Backbone interact. energy: -0.267 local terms energy: -695.048541 where: bonds (distance) C4'-P energy: -99.991 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -157.190 flat angles P-C4'-P energy: -102.553 tors. eta vs tors. theta energy: -212.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2316.730006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.730006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.730006 (E_RNA) where: Base-Base interactions energy: -1667.642 where: short stacking energy: -693.384 Base-Backbone interact. energy: 0.016 local terms energy: -649.104498 where: bonds (distance) C4'-P energy: -106.926 bonds (distance) P-C4' energy: -109.968 flat angles C4'-P-C4' energy: -142.700 flat angles P-C4'-P energy: -82.593 tors. eta vs tors. theta energy: -206.917 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: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1796.031165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.031165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.031165 (E_RNA) where: Base-Base interactions energy: -1254.125 where: short stacking energy: -521.650 Base-Backbone interact. energy: 2.344 local terms energy: -544.250418 where: bonds (distance) C4'-P energy: -116.106 bonds (distance) P-C4' energy: -103.269 flat angles C4'-P-C4' energy: -137.945 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -128.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1668.376513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.376513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.376513 (E_RNA) where: Base-Base interactions energy: -1133.765 where: short stacking energy: -471.893 Base-Backbone interact. energy: 6.658 local terms energy: -541.269410 where: bonds (distance) C4'-P energy: -97.315 bonds (distance) P-C4' energy: -123.949 flat angles C4'-P-C4' energy: -120.622 flat angles P-C4'-P energy: -92.253 tors. eta vs tors. theta energy: -107.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1404.851420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.851420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.851420 (E_RNA) where: Base-Base interactions energy: -926.134 where: short stacking energy: -415.633 Base-Backbone interact. energy: -3.127 local terms energy: -475.590383 where: bonds (distance) C4'-P energy: -93.311 bonds (distance) P-C4' energy: -110.224 flat angles C4'-P-C4' energy: -103.121 flat angles P-C4'-P energy: -70.605 tors. eta vs tors. theta energy: -98.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1038.385969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.385969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.385969 (E_RNA) where: Base-Base interactions energy: -642.872 where: short stacking energy: -309.212 Base-Backbone interact. energy: 0.922 local terms energy: -396.436431 where: bonds (distance) C4'-P energy: -101.653 bonds (distance) P-C4' energy: -106.985 flat angles C4'-P-C4' energy: -98.940 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -36.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2647.659954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.659954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.659954 (E_RNA) where: Base-Base interactions energy: -1878.546 where: short stacking energy: -776.118 Base-Backbone interact. energy: 1.628 local terms energy: -770.742608 where: bonds (distance) C4'-P energy: -144.568 bonds (distance) P-C4' energy: -128.738 flat angles C4'-P-C4' energy: -161.743 flat angles P-C4'-P energy: -107.278 tors. eta vs tors. theta energy: -228.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2585.114028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.114028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.114028 (E_RNA) where: Base-Base interactions energy: -1829.992 where: short stacking energy: -757.158 Base-Backbone interact. energy: -4.997 local terms energy: -750.125701 where: bonds (distance) C4'-P energy: -136.058 bonds (distance) P-C4' energy: -123.310 flat angles C4'-P-C4' energy: -159.435 flat angles P-C4'-P energy: -105.847 tors. eta vs tors. theta energy: -225.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2570.776710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.776710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.776710 (E_RNA) where: Base-Base interactions energy: -1833.489 where: short stacking energy: -729.419 Base-Backbone interact. energy: -2.861 local terms energy: -734.427245 where: bonds (distance) C4'-P energy: -129.155 bonds (distance) P-C4' energy: -117.706 flat angles C4'-P-C4' energy: -147.469 flat angles P-C4'-P energy: -106.076 tors. eta vs tors. theta energy: -234.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2414.994846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.994846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.994846 (E_RNA) where: Base-Base interactions energy: -1689.507 where: short stacking energy: -700.141 Base-Backbone interact. energy: -1.898 local terms energy: -723.589784 where: bonds (distance) C4'-P energy: -142.491 bonds (distance) P-C4' energy: -131.333 flat angles C4'-P-C4' energy: -139.883 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -207.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2376.848023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.848023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.848023 (E_RNA) where: Base-Base interactions energy: -1674.414 where: short stacking energy: -680.246 Base-Backbone interact. energy: -3.742 local terms energy: -698.691195 where: bonds (distance) C4'-P energy: -118.664 bonds (distance) P-C4' energy: -117.148 flat angles C4'-P-C4' energy: -157.459 flat angles P-C4'-P energy: -91.412 tors. eta vs tors. theta energy: -214.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2331.966217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.966217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.966217 (E_RNA) where: Base-Base interactions energy: -1664.538 where: short stacking energy: -670.158 Base-Backbone interact. energy: 0.579 local terms energy: -668.007478 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -124.941 flat angles C4'-P-C4' energy: -155.323 flat angles P-C4'-P energy: -84.394 tors. eta vs tors. theta energy: -204.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1834.371980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.371980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.371980 (E_RNA) where: Base-Base interactions energy: -1273.065 where: short stacking energy: -517.636 Base-Backbone interact. energy: -1.453 local terms energy: -559.854097 where: bonds (distance) C4'-P energy: -103.331 bonds (distance) P-C4' energy: -120.608 flat angles C4'-P-C4' energy: -135.667 flat angles P-C4'-P energy: -85.168 tors. eta vs tors. theta energy: -115.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1609.608877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.608877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.608877 (E_RNA) where: Base-Base interactions energy: -1113.227 where: short stacking energy: -465.324 Base-Backbone interact. energy: 3.472 local terms energy: -499.853500 where: bonds (distance) C4'-P energy: -99.016 bonds (distance) P-C4' energy: -108.190 flat angles C4'-P-C4' energy: -107.291 flat angles P-C4'-P energy: -65.248 tors. eta vs tors. theta energy: -120.108 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: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1401.963451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.963451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.963451 (E_RNA) where: Base-Base interactions energy: -935.397 where: short stacking energy: -426.394 Base-Backbone interact. energy: 2.419 local terms energy: -468.986119 where: bonds (distance) C4'-P energy: -87.891 bonds (distance) P-C4' energy: -113.029 flat angles C4'-P-C4' energy: -96.649 flat angles P-C4'-P energy: -67.204 tors. eta vs tors. theta energy: -104.213 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: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -991.390072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.390072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.390072 (E_RNA) where: Base-Base interactions energy: -585.491 where: short stacking energy: -284.504 Base-Backbone interact. energy: -2.252 local terms energy: -403.647337 where: bonds (distance) C4'-P energy: -107.484 bonds (distance) P-C4' energy: -101.207 flat angles C4'-P-C4' energy: -98.682 flat angles P-C4'-P energy: -49.249 tors. eta vs tors. theta energy: -47.025 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: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2624.653189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.653189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.653189 (E_RNA) where: Base-Base interactions energy: -1860.517 where: short stacking energy: -754.322 Base-Backbone interact. energy: -1.417 local terms energy: -762.718603 where: bonds (distance) C4'-P energy: -128.927 bonds (distance) P-C4' energy: -140.275 flat angles C4'-P-C4' energy: -162.541 flat angles P-C4'-P energy: -104.360 tors. eta vs tors. theta energy: -226.616 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: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2576.446742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.446742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.446742 (E_RNA) where: Base-Base interactions energy: -1836.328 where: short stacking energy: -760.797 Base-Backbone interact. energy: -1.437 local terms energy: -738.681318 where: bonds (distance) C4'-P energy: -126.382 bonds (distance) P-C4' energy: -123.949 flat angles C4'-P-C4' energy: -151.380 flat angles P-C4'-P energy: -112.981 tors. eta vs tors. theta energy: -223.991 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: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2575.355098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.355098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.355098 (E_RNA) where: Base-Base interactions energy: -1847.172 where: short stacking energy: -757.246 Base-Backbone interact. energy: -2.094 local terms energy: -726.089400 where: bonds (distance) C4'-P energy: -103.088 bonds (distance) P-C4' energy: -131.711 flat angles C4'-P-C4' energy: -148.881 flat angles P-C4'-P energy: -110.255 tors. eta vs tors. theta energy: -232.154 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: 171 Temperature: 1.050000 Total energy: -2469.574527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.574527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.574527 (E_RNA) where: Base-Base interactions energy: -1751.441 where: short stacking energy: -725.143 Base-Backbone interact. energy: -0.684 local terms energy: -717.449149 where: bonds (distance) C4'-P energy: -108.198 bonds (distance) P-C4' energy: -126.940 flat angles C4'-P-C4' energy: -147.012 flat angles P-C4'-P energy: -109.518 tors. eta vs tors. theta energy: -225.782 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: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2349.788531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.788531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.788531 (E_RNA) where: Base-Base interactions energy: -1664.650 where: short stacking energy: -692.421 Base-Backbone interact. energy: -0.783 local terms energy: -684.355318 where: bonds (distance) C4'-P energy: -131.698 bonds (distance) P-C4' energy: -104.850 flat angles C4'-P-C4' energy: -147.788 flat angles P-C4'-P energy: -89.334 tors. eta vs tors. theta energy: -210.686 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: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2345.266740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.266740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.266740 (E_RNA) where: Base-Base interactions energy: -1688.495 where: short stacking energy: -701.328 Base-Backbone interact. energy: -0.953 local terms energy: -655.818561 where: bonds (distance) C4'-P energy: -114.629 bonds (distance) P-C4' energy: -117.612 flat angles C4'-P-C4' energy: -121.937 flat angles P-C4'-P energy: -88.432 tors. eta vs tors. theta energy: -213.209 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: 5 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1867.143323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.143323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.143323 (E_RNA) where: Base-Base interactions energy: -1278.304 where: short stacking energy: -549.463 Base-Backbone interact. energy: 2.969 local terms energy: -591.807950 where: bonds (distance) C4'-P energy: -111.712 bonds (distance) P-C4' energy: -129.011 flat angles C4'-P-C4' energy: -135.932 flat angles P-C4'-P energy: -75.732 tors. eta vs tors. theta energy: -139.421 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: 171 Temperature: 1.250000 Total energy: -1658.217262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.217262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.217262 (E_RNA) where: Base-Base interactions energy: -1131.962 where: short stacking energy: -467.857 Base-Backbone interact. energy: -2.616 local terms energy: -523.639125 where: bonds (distance) C4'-P energy: -112.569 bonds (distance) P-C4' energy: -101.751 flat angles C4'-P-C4' energy: -119.688 flat angles P-C4'-P energy: -88.618 tors. eta vs tors. theta energy: -101.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1417.141655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.141655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.141655 (E_RNA) where: Base-Base interactions energy: -912.332 where: short stacking energy: -393.386 Base-Backbone interact. energy: -0.777 local terms energy: -504.032846 where: bonds (distance) C4'-P energy: -109.550 bonds (distance) P-C4' energy: -113.665 flat angles C4'-P-C4' energy: -111.923 flat angles P-C4'-P energy: -93.239 tors. eta vs tors. theta energy: -75.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -967.789962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.789962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.789962 (E_RNA) where: Base-Base interactions energy: -585.687 where: short stacking energy: -292.256 Base-Backbone interact. energy: 3.491 local terms energy: -385.594276 where: bonds (distance) C4'-P energy: -101.391 bonds (distance) P-C4' energy: -104.587 flat angles C4'-P-C4' energy: -90.314 flat angles P-C4'-P energy: -46.232 tors. eta vs tors. theta energy: -43.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2649.150022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.150022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.150022 (E_RNA) where: Base-Base interactions energy: -1877.348 where: short stacking energy: -792.804 Base-Backbone interact. energy: -2.355 local terms energy: -769.446643 where: bonds (distance) C4'-P energy: -129.843 bonds (distance) P-C4' energy: -140.184 flat angles C4'-P-C4' energy: -154.095 flat angles P-C4'-P energy: -113.464 tors. eta vs tors. theta energy: -231.861 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: 7 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2610.424397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.424397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.424397 (E_RNA) where: Base-Base interactions energy: -1861.870 where: short stacking energy: -750.317 Base-Backbone interact. energy: 4.067 local terms energy: -752.620805 where: bonds (distance) C4'-P energy: -123.105 bonds (distance) P-C4' energy: -139.587 flat angles C4'-P-C4' energy: -159.147 flat angles P-C4'-P energy: -101.745 tors. eta vs tors. theta energy: -229.037 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: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2555.350275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.350275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.350275 (E_RNA) where: Base-Base interactions energy: -1822.109 where: short stacking energy: -743.246 Base-Backbone interact. energy: -0.127 local terms energy: -733.114841 where: bonds (distance) C4'-P energy: -133.015 bonds (distance) P-C4' energy: -127.549 flat angles C4'-P-C4' energy: -136.654 flat angles P-C4'-P energy: -109.269 tors. eta vs tors. theta energy: -226.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2482.782698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.782698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.782698 (E_RNA) where: Base-Base interactions energy: -1766.762 where: short stacking energy: -727.912 Base-Backbone interact. energy: -2.414 local terms energy: -713.607145 where: bonds (distance) C4'-P energy: -111.658 bonds (distance) P-C4' energy: -116.603 flat angles C4'-P-C4' energy: -146.113 flat angles P-C4'-P energy: -109.269 tors. eta vs tors. theta energy: -229.964 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: 1 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2313.592189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.592189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.592189 (E_RNA) where: Base-Base interactions energy: -1641.667 where: short stacking energy: -681.008 Base-Backbone interact. energy: -0.095 local terms energy: -671.830081 where: bonds (distance) C4'-P energy: -123.507 bonds (distance) P-C4' energy: -112.648 flat angles C4'-P-C4' energy: -144.713 flat angles P-C4'-P energy: -96.539 tors. eta vs tors. theta energy: -194.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2297.514393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.514393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.514393 (E_RNA) where: Base-Base interactions energy: -1633.075 where: short stacking energy: -679.088 Base-Backbone interact. energy: 1.251 local terms energy: -665.690914 where: bonds (distance) C4'-P energy: -109.320 bonds (distance) P-C4' energy: -126.938 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -88.879 tors. eta vs tors. theta energy: -205.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1836.530077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.530077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.530077 (E_RNA) where: Base-Base interactions energy: -1263.942 where: short stacking energy: -557.256 Base-Backbone interact. energy: -2.909 local terms energy: -569.679659 where: bonds (distance) C4'-P energy: -102.890 bonds (distance) P-C4' energy: -117.187 flat angles C4'-P-C4' energy: -127.931 flat angles P-C4'-P energy: -78.654 tors. eta vs tors. theta energy: -143.017 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: 172 Temperature: 1.250000 Total energy: -1654.363396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.363396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.363396 (E_RNA) where: Base-Base interactions energy: -1151.407 where: short stacking energy: -501.325 Base-Backbone interact. energy: -1.713 local terms energy: -501.243385 where: bonds (distance) C4'-P energy: -98.200 bonds (distance) P-C4' energy: -113.127 flat angles C4'-P-C4' energy: -107.697 flat angles P-C4'-P energy: -65.866 tors. eta vs tors. theta energy: -116.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1401.787669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.787669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.787669 (E_RNA) where: Base-Base interactions energy: -921.217 where: short stacking energy: -392.401 Base-Backbone interact. energy: -1.519 local terms energy: -479.051999 where: bonds (distance) C4'-P energy: -101.634 bonds (distance) P-C4' energy: -116.876 flat angles C4'-P-C4' energy: -116.102 flat angles P-C4'-P energy: -58.635 tors. eta vs tors. theta energy: -85.805 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: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -977.782479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.782479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.782479 (E_RNA) where: Base-Base interactions energy: -597.749 where: short stacking energy: -259.433 Base-Backbone interact. energy: 1.102 local terms energy: -381.135493 where: bonds (distance) C4'-P energy: -99.815 bonds (distance) P-C4' energy: -112.814 flat angles C4'-P-C4' energy: -111.672 flat angles P-C4'-P energy: -39.070 tors. eta vs tors. theta energy: -17.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2633.504940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.504940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.504940 (E_RNA) where: Base-Base interactions energy: -1858.511 where: short stacking energy: -776.722 Base-Backbone interact. energy: -2.079 local terms energy: -772.915254 where: bonds (distance) C4'-P energy: -135.672 bonds (distance) P-C4' energy: -124.627 flat angles C4'-P-C4' energy: -165.480 flat angles P-C4'-P energy: -107.616 tors. eta vs tors. theta energy: -239.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2604.120514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.120514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.120514 (E_RNA) where: Base-Base interactions energy: -1837.507 where: short stacking energy: -748.968 Base-Backbone interact. energy: -2.638 local terms energy: -763.975059 where: bonds (distance) C4'-P energy: -129.805 bonds (distance) P-C4' energy: -137.146 flat angles C4'-P-C4' energy: -163.978 flat angles P-C4'-P energy: -98.610 tors. eta vs tors. theta energy: -234.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2548.420226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.420226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.420226 (E_RNA) where: Base-Base interactions energy: -1850.667 where: short stacking energy: -730.260 Base-Backbone interact. energy: 0.690 local terms energy: -698.442639 where: bonds (distance) C4'-P energy: -133.570 bonds (distance) P-C4' energy: -108.176 flat angles C4'-P-C4' energy: -141.689 flat angles P-C4'-P energy: -85.517 tors. eta vs tors. theta energy: -229.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2451.269415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.269415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.269415 (E_RNA) where: Base-Base interactions energy: -1729.946 where: short stacking energy: -721.230 Base-Backbone interact. energy: -0.354 local terms energy: -720.969659 where: bonds (distance) C4'-P energy: -137.812 bonds (distance) P-C4' energy: -122.293 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -100.904 tors. eta vs tors. theta energy: -219.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2339.519004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.519004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.519004 (E_RNA) where: Base-Base interactions energy: -1657.909 where: short stacking energy: -682.039 Base-Backbone interact. energy: -1.142 local terms energy: -680.467606 where: bonds (distance) C4'-P energy: -117.812 bonds (distance) P-C4' energy: -123.344 flat angles C4'-P-C4' energy: -141.252 flat angles P-C4'-P energy: -86.788 tors. eta vs tors. theta energy: -211.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2355.111794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.111794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.111794 (E_RNA) where: Base-Base interactions energy: -1691.697 where: short stacking energy: -687.532 Base-Backbone interact. energy: -2.209 local terms energy: -661.205038 where: bonds (distance) C4'-P energy: -95.751 bonds (distance) P-C4' energy: -119.346 flat angles C4'-P-C4' energy: -146.288 flat angles P-C4'-P energy: -96.155 tors. eta vs tors. theta energy: -203.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1829.593495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.593495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.593495 (E_RNA) where: Base-Base interactions energy: -1254.506 where: short stacking energy: -526.720 Base-Backbone interact. energy: 1.351 local terms energy: -576.438872 where: bonds (distance) C4'-P energy: -128.294 bonds (distance) P-C4' energy: -110.584 flat angles C4'-P-C4' energy: -120.611 flat angles P-C4'-P energy: -100.863 tors. eta vs tors. theta energy: -116.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1698.920370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.920370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.920370 (E_RNA) where: Base-Base interactions energy: -1165.488 where: short stacking energy: -466.179 Base-Backbone interact. energy: 0.733 local terms energy: -534.165155 where: bonds (distance) C4'-P energy: -109.179 bonds (distance) P-C4' energy: -102.970 flat angles C4'-P-C4' energy: -131.389 flat angles P-C4'-P energy: -86.466 tors. eta vs tors. theta energy: -104.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1322.419313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.419313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.419313 (E_RNA) where: Base-Base interactions energy: -891.642 where: short stacking energy: -370.161 Base-Backbone interact. energy: 2.158 local terms energy: -432.935874 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -103.962 flat angles C4'-P-C4' energy: -105.364 flat angles P-C4'-P energy: -56.509 tors. eta vs tors. theta energy: -69.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1036.069974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.069974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.069974 (E_RNA) where: Base-Base interactions energy: -657.115 where: short stacking energy: -317.838 Base-Backbone interact. energy: 1.552 local terms energy: -380.506838 where: bonds (distance) C4'-P energy: -90.044 bonds (distance) P-C4' energy: -107.015 flat angles C4'-P-C4' energy: -88.669 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -39.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2607.927894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.927894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.927894 (E_RNA) where: Base-Base interactions energy: -1843.851 where: short stacking energy: -772.907 Base-Backbone interact. energy: -2.485 local terms energy: -761.591924 where: bonds (distance) C4'-P energy: -130.253 bonds (distance) P-C4' energy: -133.875 flat angles C4'-P-C4' energy: -163.019 flat angles P-C4'-P energy: -106.352 tors. eta vs tors. theta energy: -228.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2585.519100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.519100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.519100 (E_RNA) where: Base-Base interactions energy: -1835.018 where: short stacking energy: -750.252 Base-Backbone interact. energy: -0.963 local terms energy: -749.538032 where: bonds (distance) C4'-P energy: -136.230 bonds (distance) P-C4' energy: -130.973 flat angles C4'-P-C4' energy: -146.689 flat angles P-C4'-P energy: -103.077 tors. eta vs tors. theta energy: -232.568 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: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2535.595663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.595663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.595663 (E_RNA) where: Base-Base interactions energy: -1825.571 where: short stacking energy: -711.077 Base-Backbone interact. energy: -4.120 local terms energy: -705.905340 where: bonds (distance) C4'-P energy: -113.663 bonds (distance) P-C4' energy: -131.769 flat angles C4'-P-C4' energy: -133.671 flat angles P-C4'-P energy: -97.873 tors. eta vs tors. theta energy: -228.930 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: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2457.363100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.363100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.363100 (E_RNA) where: Base-Base interactions energy: -1717.246 where: short stacking energy: -741.094 Base-Backbone interact. energy: -2.694 local terms energy: -737.423249 where: bonds (distance) C4'-P energy: -123.426 bonds (distance) P-C4' energy: -133.608 flat angles C4'-P-C4' energy: -149.529 flat angles P-C4'-P energy: -98.074 tors. eta vs tors. theta energy: -232.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2401.355526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.355526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.355526 (E_RNA) where: Base-Base interactions energy: -1695.910 where: short stacking energy: -680.055 Base-Backbone interact. energy: -1.187 local terms energy: -704.258920 where: bonds (distance) C4'-P energy: -125.307 bonds (distance) P-C4' energy: -116.105 flat angles C4'-P-C4' energy: -146.772 flat angles P-C4'-P energy: -99.781 tors. eta vs tors. theta energy: -216.295 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: 174 Temperature: 1.150000 Total energy: -2259.029320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.029320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.029320 (E_RNA) where: Base-Base interactions energy: -1616.520 where: short stacking energy: -666.603 Base-Backbone interact. energy: -0.255 local terms energy: -642.254289 where: bonds (distance) C4'-P energy: -101.288 bonds (distance) P-C4' energy: -121.927 flat angles C4'-P-C4' energy: -137.245 flat angles P-C4'-P energy: -83.622 tors. eta vs tors. theta energy: -198.173 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: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1824.561070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.561070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.561070 (E_RNA) where: Base-Base interactions energy: -1232.606 where: short stacking energy: -515.907 Base-Backbone interact. energy: -1.107 local terms energy: -590.848782 where: bonds (distance) C4'-P energy: -108.833 bonds (distance) P-C4' energy: -118.985 flat angles C4'-P-C4' energy: -139.146 flat angles P-C4'-P energy: -95.643 tors. eta vs tors. theta energy: -128.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1736.291208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.291208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.291208 (E_RNA) where: Base-Base interactions energy: -1177.289 where: short stacking energy: -492.384 Base-Backbone interact. energy: 0.402 local terms energy: -559.403724 where: bonds (distance) C4'-P energy: -100.937 bonds (distance) P-C4' energy: -121.609 flat angles C4'-P-C4' energy: -119.486 flat angles P-C4'-P energy: -76.300 tors. eta vs tors. theta energy: -141.072 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: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1393.672324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.672324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.672324 (E_RNA) where: Base-Base interactions energy: -920.473 where: short stacking energy: -438.003 Base-Backbone interact. energy: -0.212 local terms energy: -472.986838 where: bonds (distance) C4'-P energy: -100.075 bonds (distance) P-C4' energy: -94.784 flat angles C4'-P-C4' energy: -113.001 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: -91.805 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: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1004.346475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.346475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.346475 (E_RNA) where: Base-Base interactions energy: -600.421 where: short stacking energy: -279.282 Base-Backbone interact. energy: 2.064 local terms energy: -405.989375 where: bonds (distance) C4'-P energy: -94.029 bonds (distance) P-C4' energy: -101.467 flat angles C4'-P-C4' energy: -111.760 flat angles P-C4'-P energy: -56.533 tors. eta vs tors. theta energy: -42.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2655.425910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.425910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.425910 (E_RNA) where: Base-Base interactions energy: -1889.458 where: short stacking energy: -780.522 Base-Backbone interact. energy: 1.325 local terms energy: -767.293233 where: bonds (distance) C4'-P energy: -133.994 bonds (distance) P-C4' energy: -129.931 flat angles C4'-P-C4' energy: -147.939 flat angles P-C4'-P energy: -120.236 tors. eta vs tors. theta energy: -235.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2615.741324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.741324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.741324 (E_RNA) where: Base-Base interactions energy: -1876.261 where: short stacking energy: -750.104 Base-Backbone interact. energy: -0.424 local terms energy: -739.056098 where: bonds (distance) C4'-P energy: -133.583 bonds (distance) P-C4' energy: -133.216 flat angles C4'-P-C4' energy: -138.111 flat angles P-C4'-P energy: -96.014 tors. eta vs tors. theta energy: -238.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2536.633708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.633708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.633708 (E_RNA) where: Base-Base interactions energy: -1793.725 where: short stacking energy: -719.636 Base-Backbone interact. energy: -0.236 local terms energy: -742.673478 where: bonds (distance) C4'-P energy: -135.080 bonds (distance) P-C4' energy: -126.334 flat angles C4'-P-C4' energy: -158.607 flat angles P-C4'-P energy: -97.395 tors. eta vs tors. theta energy: -225.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2483.616267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.616267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.616267 (E_RNA) where: Base-Base interactions energy: -1762.835 where: short stacking energy: -732.431 Base-Backbone interact. energy: -2.456 local terms energy: -718.325758 where: bonds (distance) C4'-P energy: -114.473 bonds (distance) P-C4' energy: -123.951 flat angles C4'-P-C4' energy: -154.710 flat angles P-C4'-P energy: -91.608 tors. eta vs tors. theta energy: -233.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2435.784024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.784024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.784024 (E_RNA) where: Base-Base interactions energy: -1740.919 where: short stacking energy: -707.153 Base-Backbone interact. energy: -2.493 local terms energy: -692.372163 where: bonds (distance) C4'-P energy: -114.150 bonds (distance) P-C4' energy: -128.942 flat angles C4'-P-C4' energy: -141.876 flat angles P-C4'-P energy: -87.162 tors. eta vs tors. theta energy: -220.243 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: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2238.485216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.485216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.485216 (E_RNA) where: Base-Base interactions energy: -1596.820 where: short stacking energy: -656.402 Base-Backbone interact. energy: -3.002 local terms energy: -638.663240 where: bonds (distance) C4'-P energy: -104.615 bonds (distance) P-C4' energy: -105.743 flat angles C4'-P-C4' energy: -145.394 flat angles P-C4'-P energy: -89.209 tors. eta vs tors. theta energy: -193.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1888.399461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.399461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.399461 (E_RNA) where: Base-Base interactions energy: -1332.332 where: short stacking energy: -528.723 Base-Backbone interact. energy: -2.078 local terms energy: -553.990055 where: bonds (distance) C4'-P energy: -95.621 bonds (distance) P-C4' energy: -112.578 flat angles C4'-P-C4' energy: -125.930 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -149.484 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: 175 Temperature: 1.250000 Total energy: -1706.015772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.015772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.015772 (E_RNA) where: Base-Base interactions energy: -1135.548 where: short stacking energy: -479.904 Base-Backbone interact. energy: 6.846 local terms energy: -577.314036 where: bonds (distance) C4'-P energy: -114.386 bonds (distance) P-C4' energy: -126.296 flat angles C4'-P-C4' energy: -115.445 flat angles P-C4'-P energy: -93.599 tors. eta vs tors. theta energy: -127.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1364.639760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.639760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.639760 (E_RNA) where: Base-Base interactions energy: -912.875 where: short stacking energy: -400.484 Base-Backbone interact. energy: 0.646 local terms energy: -452.410730 where: bonds (distance) C4'-P energy: -99.522 bonds (distance) P-C4' energy: -100.525 flat angles C4'-P-C4' energy: -116.875 flat angles P-C4'-P energy: -58.621 tors. eta vs tors. theta energy: -76.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -935.776805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.776805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.776805 (E_RNA) where: Base-Base interactions energy: -544.029 where: short stacking energy: -261.271 Base-Backbone interact. energy: -3.072 local terms energy: -388.674875 where: bonds (distance) C4'-P energy: -98.471 bonds (distance) P-C4' energy: -104.806 flat angles C4'-P-C4' energy: -92.120 flat angles P-C4'-P energy: -65.648 tors. eta vs tors. theta energy: -27.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2630.781631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.781631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.781631 (E_RNA) where: Base-Base interactions energy: -1875.409 where: short stacking energy: -756.606 Base-Backbone interact. energy: -1.307 local terms energy: -754.065046 where: bonds (distance) C4'-P energy: -128.415 bonds (distance) P-C4' energy: -134.742 flat angles C4'-P-C4' energy: -156.125 flat angles P-C4'-P energy: -106.963 tors. eta vs tors. theta energy: -227.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2607.232459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.232459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.232459 (E_RNA) where: Base-Base interactions energy: -1882.578 where: short stacking energy: -758.018 Base-Backbone interact. energy: -1.519 local terms energy: -723.136163 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -118.524 flat angles C4'-P-C4' energy: -153.214 flat angles P-C4'-P energy: -103.319 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: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2531.788186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.788186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.788186 (E_RNA) where: Base-Base interactions energy: -1782.840 where: short stacking energy: -733.042 Base-Backbone interact. energy: -2.743 local terms energy: -746.205515 where: bonds (distance) C4'-P energy: -139.008 bonds (distance) P-C4' energy: -125.502 flat angles C4'-P-C4' energy: -152.895 flat angles P-C4'-P energy: -106.693 tors. eta vs tors. theta energy: -222.108 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: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2461.332406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.332406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.332406 (E_RNA) where: Base-Base interactions energy: -1723.013 where: short stacking energy: -735.290 Base-Backbone interact. energy: -0.540 local terms energy: -737.778553 where: bonds (distance) C4'-P energy: -113.909 bonds (distance) P-C4' energy: -127.336 flat angles C4'-P-C4' energy: -163.969 flat angles P-C4'-P energy: -112.403 tors. eta vs tors. theta energy: -220.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2460.992780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.992780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.992780 (E_RNA) where: Base-Base interactions energy: -1746.860 where: short stacking energy: -736.708 Base-Backbone interact. energy: 0.640 local terms energy: -714.773195 where: bonds (distance) C4'-P energy: -117.824 bonds (distance) P-C4' energy: -125.507 flat angles C4'-P-C4' energy: -142.464 flat angles P-C4'-P energy: -109.157 tors. eta vs tors. theta energy: -219.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2311.622902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.622902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.622902 (E_RNA) where: Base-Base interactions energy: -1644.244 where: short stacking energy: -681.077 Base-Backbone interact. energy: 2.653 local terms energy: -670.032218 where: bonds (distance) C4'-P energy: -121.424 bonds (distance) P-C4' energy: -121.129 flat angles C4'-P-C4' energy: -131.929 flat angles P-C4'-P energy: -91.382 tors. eta vs tors. theta energy: -204.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1912.204663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.204663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.204663 (E_RNA) where: Base-Base interactions energy: -1333.641 where: short stacking energy: -549.255 Base-Backbone interact. energy: -3.680 local terms energy: -574.883548 where: bonds (distance) C4'-P energy: -114.183 bonds (distance) P-C4' energy: -104.265 flat angles C4'-P-C4' energy: -125.574 flat angles P-C4'-P energy: -68.958 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: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1715.658112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.658112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.658112 (E_RNA) where: Base-Base interactions energy: -1140.051 where: short stacking energy: -487.905 Base-Backbone interact. energy: -3.146 local terms energy: -572.460686 where: bonds (distance) C4'-P energy: -122.146 bonds (distance) P-C4' energy: -112.392 flat angles C4'-P-C4' energy: -124.562 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -128.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1387.477270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.477270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.477270 (E_RNA) where: Base-Base interactions energy: -929.031 where: short stacking energy: -416.899 Base-Backbone interact. energy: 0.661 local terms energy: -459.108077 where: bonds (distance) C4'-P energy: -98.601 bonds (distance) P-C4' energy: -101.418 flat angles C4'-P-C4' energy: -101.223 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -84.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -928.880190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.880190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.880190 (E_RNA) where: Base-Base interactions energy: -577.976 where: short stacking energy: -263.474 Base-Backbone interact. energy: 2.961 local terms energy: -353.865258 where: bonds (distance) C4'-P energy: -68.660 bonds (distance) P-C4' energy: -108.278 flat angles C4'-P-C4' energy: -86.976 flat angles P-C4'-P energy: -65.914 tors. eta vs tors. theta energy: -24.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2641.743246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.743246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.743246 (E_RNA) where: Base-Base interactions energy: -1887.506 where: short stacking energy: -758.664 Base-Backbone interact. energy: 0.484 local terms energy: -754.721623 where: bonds (distance) C4'-P energy: -138.821 bonds (distance) P-C4' energy: -133.859 flat angles C4'-P-C4' energy: -159.362 flat angles P-C4'-P energy: -102.917 tors. eta vs tors. theta energy: -219.762 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: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2608.128736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.128736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.128736 (E_RNA) where: Base-Base interactions energy: -1859.541 where: short stacking energy: -734.136 Base-Backbone interact. energy: -2.591 local terms energy: -745.997321 where: bonds (distance) C4'-P energy: -119.780 bonds (distance) P-C4' energy: -131.613 flat angles C4'-P-C4' energy: -156.188 flat angles P-C4'-P energy: -109.278 tors. eta vs tors. theta energy: -229.138 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: 177 Temperature: 1.000000 Total energy: -2534.424701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.424701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.424701 (E_RNA) where: Base-Base interactions energy: -1826.487 where: short stacking energy: -741.903 Base-Backbone interact. energy: -0.227 local terms energy: -707.711111 where: bonds (distance) C4'-P energy: -111.383 bonds (distance) P-C4' energy: -124.579 flat angles C4'-P-C4' energy: -147.093 flat angles P-C4'-P energy: -100.744 tors. eta vs tors. theta energy: -223.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2464.638605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.638605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.638605 (E_RNA) where: Base-Base interactions energy: -1733.433 where: short stacking energy: -706.248 Base-Backbone interact. energy: -1.954 local terms energy: -729.251449 where: bonds (distance) C4'-P energy: -127.041 bonds (distance) P-C4' energy: -117.867 flat angles C4'-P-C4' energy: -149.175 flat angles P-C4'-P energy: -113.368 tors. eta vs tors. theta energy: -221.801 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: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2367.024757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.024757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.024757 (E_RNA) where: Base-Base interactions energy: -1686.175 where: short stacking energy: -714.702 Base-Backbone interact. energy: -3.216 local terms energy: -677.633874 where: bonds (distance) C4'-P energy: -92.025 bonds (distance) P-C4' energy: -130.106 flat angles C4'-P-C4' energy: -137.089 flat angles P-C4'-P energy: -97.832 tors. eta vs tors. theta energy: -220.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2279.927010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.927010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.927010 (E_RNA) where: Base-Base interactions energy: -1598.142 where: short stacking energy: -673.879 Base-Backbone interact. energy: -2.045 local terms energy: -679.739653 where: bonds (distance) C4'-P energy: -128.247 bonds (distance) P-C4' energy: -104.797 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -94.022 tors. eta vs tors. theta energy: -207.407 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: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1869.582637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.582637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.582637 (E_RNA) where: Base-Base interactions energy: -1301.117 where: short stacking energy: -560.395 Base-Backbone interact. energy: -0.943 local terms energy: -567.523201 where: bonds (distance) C4'-P energy: -102.799 bonds (distance) P-C4' energy: -103.692 flat angles C4'-P-C4' energy: -123.197 flat angles P-C4'-P energy: -82.041 tors. eta vs tors. theta energy: -155.794 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: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1740.080553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.080553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.080553 (E_RNA) where: Base-Base interactions energy: -1184.954 where: short stacking energy: -521.901 Base-Backbone interact. energy: -0.008 local terms energy: -555.117878 where: bonds (distance) C4'-P energy: -99.879 bonds (distance) P-C4' energy: -127.885 flat angles C4'-P-C4' energy: -127.148 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: -135.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1408.102890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.102890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.102890 (E_RNA) where: Base-Base interactions energy: -924.515 where: short stacking energy: -399.909 Base-Backbone interact. energy: -1.671 local terms energy: -481.916783 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -107.623 flat angles C4'-P-C4' energy: -115.487 flat angles P-C4'-P energy: -70.581 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: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -933.887161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.887161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.887161 (E_RNA) where: Base-Base interactions energy: -532.033 where: short stacking energy: -251.515 Base-Backbone interact. energy: 1.018 local terms energy: -402.871351 where: bonds (distance) C4'-P energy: -113.085 bonds (distance) P-C4' energy: -104.931 flat angles C4'-P-C4' energy: -106.371 flat angles P-C4'-P energy: -63.289 tors. eta vs tors. theta energy: -15.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2650.357644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.357644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.357644 (E_RNA) where: Base-Base interactions energy: -1884.815 where: short stacking energy: -748.158 Base-Backbone interact. energy: -2.317 local terms energy: -763.225088 where: bonds (distance) C4'-P energy: -134.395 bonds (distance) P-C4' energy: -134.911 flat angles C4'-P-C4' energy: -157.255 flat angles P-C4'-P energy: -107.735 tors. eta vs tors. theta energy: -228.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2563.767899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.767899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.767899 (E_RNA) where: Base-Base interactions energy: -1800.300 where: short stacking energy: -746.674 Base-Backbone interact. energy: -0.672 local terms energy: -762.796122 where: bonds (distance) C4'-P energy: -144.357 bonds (distance) P-C4' energy: -127.073 flat angles C4'-P-C4' energy: -152.142 flat angles P-C4'-P energy: -112.976 tors. eta vs tors. theta energy: -226.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2532.161432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.161432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.161432 (E_RNA) where: Base-Base interactions energy: -1813.153 where: short stacking energy: -720.492 Base-Backbone interact. energy: -3.970 local terms energy: -715.038423 where: bonds (distance) C4'-P energy: -127.472 bonds (distance) P-C4' energy: -110.207 flat angles C4'-P-C4' energy: -155.241 flat angles P-C4'-P energy: -100.807 tors. eta vs tors. theta energy: -221.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2495.027242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.027242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.027242 (E_RNA) where: Base-Base interactions energy: -1774.405 where: short stacking energy: -737.405 Base-Backbone interact. energy: -1.212 local terms energy: -719.410875 where: bonds (distance) C4'-P energy: -110.511 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -154.172 flat angles P-C4'-P energy: -98.884 tors. eta vs tors. theta energy: -229.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2404.903935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.903935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.903935 (E_RNA) where: Base-Base interactions energy: -1682.283 where: short stacking energy: -687.410 Base-Backbone interact. energy: -3.075 local terms energy: -719.546501 where: bonds (distance) C4'-P energy: -129.751 bonds (distance) P-C4' energy: -127.191 flat angles C4'-P-C4' energy: -159.251 flat angles P-C4'-P energy: -95.561 tors. eta vs tors. theta energy: -207.792 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: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2285.762803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.762803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.762803 (E_RNA) where: Base-Base interactions energy: -1641.789 where: short stacking energy: -661.231 Base-Backbone interact. energy: -1.202 local terms energy: -642.772182 where: bonds (distance) C4'-P energy: -109.976 bonds (distance) P-C4' energy: -118.914 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -84.908 tors. eta vs tors. theta energy: -204.668 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: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1895.991532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.991532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.991532 (E_RNA) where: Base-Base interactions energy: -1328.278 where: short stacking energy: -557.184 Base-Backbone interact. energy: -2.128 local terms energy: -565.585205 where: bonds (distance) C4'-P energy: -108.979 bonds (distance) P-C4' energy: -93.517 flat angles C4'-P-C4' energy: -134.680 flat angles P-C4'-P energy: -83.090 tors. eta vs tors. theta energy: -145.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1745.778852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.778852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.778852 (E_RNA) where: Base-Base interactions energy: -1197.183 where: short stacking energy: -501.837 Base-Backbone interact. energy: -2.340 local terms energy: -546.255418 where: bonds (distance) C4'-P energy: -101.914 bonds (distance) P-C4' energy: -108.451 flat angles C4'-P-C4' energy: -125.770 flat angles P-C4'-P energy: -88.212 tors. eta vs tors. theta energy: -121.909 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: 9, replica: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1360.160765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.160765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.160765 (E_RNA) where: Base-Base interactions energy: -880.120 where: short stacking energy: -372.787 Base-Backbone interact. energy: 1.052 local terms energy: -481.092708 where: bonds (distance) C4'-P energy: -113.270 bonds (distance) P-C4' energy: -118.377 flat angles C4'-P-C4' energy: -108.136 flat angles P-C4'-P energy: -64.372 tors. eta vs tors. theta energy: -76.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -880.450869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.450869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.450869 (E_RNA) where: Base-Base interactions energy: -497.703 where: short stacking energy: -243.906 Base-Backbone interact. energy: 2.220 local terms energy: -384.967372 where: bonds (distance) C4'-P energy: -106.415 bonds (distance) P-C4' energy: -131.002 flat angles C4'-P-C4' energy: -85.749 flat angles P-C4'-P energy: -62.130 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2639.969620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.969620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.969620 (E_RNA) where: Base-Base interactions energy: -1880.060 where: short stacking energy: -774.304 Base-Backbone interact. energy: -2.801 local terms energy: -757.108490 where: bonds (distance) C4'-P energy: -135.856 bonds (distance) P-C4' energy: -131.230 flat angles C4'-P-C4' energy: -157.138 flat angles P-C4'-P energy: -99.429 tors. eta vs tors. theta energy: -233.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2592.371033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.371033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.371033 (E_RNA) where: Base-Base interactions energy: -1832.453 where: short stacking energy: -743.515 Base-Backbone interact. energy: -0.616 local terms energy: -759.302405 where: bonds (distance) C4'-P energy: -128.212 bonds (distance) P-C4' energy: -135.938 flat angles C4'-P-C4' energy: -162.001 flat angles P-C4'-P energy: -105.416 tors. eta vs tors. theta energy: -227.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2538.028977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.028977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.028977 (E_RNA) where: Base-Base interactions energy: -1811.319 where: short stacking energy: -731.121 Base-Backbone interact. energy: -0.714 local terms energy: -725.996941 where: bonds (distance) C4'-P energy: -120.774 bonds (distance) P-C4' energy: -129.102 flat angles C4'-P-C4' energy: -147.215 flat angles P-C4'-P energy: -99.108 tors. eta vs tors. theta energy: -229.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2452.225681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.225681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.225681 (E_RNA) where: Base-Base interactions energy: -1716.099 where: short stacking energy: -713.521 Base-Backbone interact. energy: -1.835 local terms energy: -734.292490 where: bonds (distance) C4'-P energy: -125.067 bonds (distance) P-C4' energy: -133.732 flat angles C4'-P-C4' energy: -152.699 flat angles P-C4'-P energy: -106.228 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: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2397.234667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.234667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.234667 (E_RNA) where: Base-Base interactions energy: -1694.460 where: short stacking energy: -719.644 Base-Backbone interact. energy: 0.232 local terms energy: -703.006362 where: bonds (distance) C4'-P energy: -113.896 bonds (distance) P-C4' energy: -119.710 flat angles C4'-P-C4' energy: -143.366 flat angles P-C4'-P energy: -95.184 tors. eta vs tors. theta energy: -230.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2313.776660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.776660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.776660 (E_RNA) where: Base-Base interactions energy: -1665.517 where: short stacking energy: -675.785 Base-Backbone interact. energy: 2.582 local terms energy: -650.841637 where: bonds (distance) C4'-P energy: -118.444 bonds (distance) P-C4' energy: -105.832 flat angles C4'-P-C4' energy: -139.455 flat angles P-C4'-P energy: -89.813 tors. eta vs tors. theta energy: -197.297 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: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1952.820485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.820485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.820485 (E_RNA) where: Base-Base interactions energy: -1344.825 where: short stacking energy: -558.267 Base-Backbone interact. energy: -0.981 local terms energy: -607.014593 where: bonds (distance) C4'-P energy: -125.129 bonds (distance) P-C4' energy: -102.516 flat angles C4'-P-C4' energy: -137.950 flat angles P-C4'-P energy: -89.179 tors. eta vs tors. theta energy: -152.241 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: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1723.558875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.558875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.558875 (E_RNA) where: Base-Base interactions energy: -1184.606 where: short stacking energy: -496.918 Base-Backbone interact. energy: -0.723 local terms energy: -538.230733 where: bonds (distance) C4'-P energy: -100.162 bonds (distance) P-C4' energy: -130.803 flat angles C4'-P-C4' energy: -106.136 flat angles P-C4'-P energy: -76.486 tors. eta vs tors. theta energy: -124.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1386.994065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.994065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.994065 (E_RNA) where: Base-Base interactions energy: -910.939 where: short stacking energy: -371.143 Base-Backbone interact. energy: -1.549 local terms energy: -474.506065 where: bonds (distance) C4'-P energy: -105.947 bonds (distance) P-C4' energy: -112.859 flat angles C4'-P-C4' energy: -108.302 flat angles P-C4'-P energy: -61.071 tors. eta vs tors. theta energy: -86.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -860.248706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.248706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.248706 (E_RNA) where: Base-Base interactions energy: -462.782 where: short stacking energy: -226.636 Base-Backbone interact. energy: 1.686 local terms energy: -399.153281 where: bonds (distance) C4'-P energy: -117.119 bonds (distance) P-C4' energy: -108.866 flat angles C4'-P-C4' energy: -102.657 flat angles P-C4'-P energy: -57.489 tors. eta vs tors. theta energy: -13.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2631.201698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.201698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.201698 (E_RNA) where: Base-Base interactions energy: -1877.301 where: short stacking energy: -773.168 Base-Backbone interact. energy: -0.000 local terms energy: -753.900717 where: bonds (distance) C4'-P energy: -118.894 bonds (distance) P-C4' energy: -127.755 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -119.228 tors. eta vs tors. theta energy: -237.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2567.270233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.270233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.270233 (E_RNA) where: Base-Base interactions energy: -1828.741 where: short stacking energy: -756.180 Base-Backbone interact. energy: -0.587 local terms energy: -737.942067 where: bonds (distance) C4'-P energy: -130.659 bonds (distance) P-C4' energy: -127.373 flat angles C4'-P-C4' energy: -155.640 flat angles P-C4'-P energy: -98.322 tors. eta vs tors. theta energy: -225.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2525.986482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.986482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.986482 (E_RNA) where: Base-Base interactions energy: -1810.091 where: short stacking energy: -738.720 Base-Backbone interact. energy: -3.059 local terms energy: -712.836847 where: bonds (distance) C4'-P energy: -114.036 bonds (distance) P-C4' energy: -130.261 flat angles C4'-P-C4' energy: -151.975 flat angles P-C4'-P energy: -84.489 tors. eta vs tors. theta energy: -232.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2478.151876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.151876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.151876 (E_RNA) where: Base-Base interactions energy: -1743.065 where: short stacking energy: -719.697 Base-Backbone interact. energy: -1.500 local terms energy: -733.587234 where: bonds (distance) C4'-P energy: -124.939 bonds (distance) P-C4' energy: -134.844 flat angles C4'-P-C4' energy: -145.997 flat angles P-C4'-P energy: -100.886 tors. eta vs tors. theta energy: -226.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2398.632350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.632350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.632350 (E_RNA) where: Base-Base interactions energy: -1676.159 where: short stacking energy: -700.106 Base-Backbone interact. energy: -1.179 local terms energy: -721.294382 where: bonds (distance) C4'-P energy: -126.642 bonds (distance) P-C4' energy: -131.692 flat angles C4'-P-C4' energy: -144.875 flat angles P-C4'-P energy: -102.487 tors. eta vs tors. theta energy: -215.598 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: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2263.904528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.904528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.904528 (E_RNA) where: Base-Base interactions energy: -1591.423 where: short stacking energy: -643.738 Base-Backbone interact. energy: -2.472 local terms energy: -670.009337 where: bonds (distance) C4'-P energy: -125.295 bonds (distance) P-C4' energy: -108.076 flat angles C4'-P-C4' energy: -141.025 flat angles P-C4'-P energy: -85.864 tors. eta vs tors. theta energy: -209.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1960.865452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.865452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.865452 (E_RNA) where: Base-Base interactions energy: -1372.957 where: short stacking energy: -555.650 Base-Backbone interact. energy: -0.577 local terms energy: -587.332041 where: bonds (distance) C4'-P energy: -102.694 bonds (distance) P-C4' energy: -105.292 flat angles C4'-P-C4' energy: -135.834 flat angles P-C4'-P energy: -85.066 tors. eta vs tors. theta energy: -158.446 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: 180 Temperature: 1.250000 Total energy: -1697.522895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.522895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.522895 (E_RNA) where: Base-Base interactions energy: -1158.178 where: short stacking energy: -475.696 Base-Backbone interact. energy: -2.662 local terms energy: -536.682589 where: bonds (distance) C4'-P energy: -122.242 bonds (distance) P-C4' energy: -110.807 flat angles C4'-P-C4' energy: -112.896 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -125.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1489.069680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.069680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.069680 (E_RNA) where: Base-Base interactions energy: -976.194 where: short stacking energy: -409.524 Base-Backbone interact. energy: 1.409 local terms energy: -514.284457 where: bonds (distance) C4'-P energy: -103.390 bonds (distance) P-C4' energy: -109.332 flat angles C4'-P-C4' energy: -121.560 flat angles P-C4'-P energy: -76.753 tors. eta vs tors. theta energy: -103.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -918.769747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.769747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.769747 (E_RNA) where: Base-Base interactions energy: -532.134 where: short stacking energy: -274.246 Base-Backbone interact. energy: 8.687 local terms energy: -395.323323 where: bonds (distance) C4'-P energy: -107.688 bonds (distance) P-C4' energy: -114.374 flat angles C4'-P-C4' energy: -98.126 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -26.559 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: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2642.518947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.518947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.518947 (E_RNA) where: Base-Base interactions energy: -1878.982 where: short stacking energy: -773.413 Base-Backbone interact. energy: -1.295 local terms energy: -762.242156 where: bonds (distance) C4'-P energy: -127.694 bonds (distance) P-C4' energy: -133.503 flat angles C4'-P-C4' energy: -162.239 flat angles P-C4'-P energy: -101.500 tors. eta vs tors. theta energy: -237.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2558.140562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.140562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.140562 (E_RNA) where: Base-Base interactions energy: -1813.746 where: short stacking energy: -728.109 Base-Backbone interact. energy: -1.668 local terms energy: -742.726548 where: bonds (distance) C4'-P energy: -116.264 bonds (distance) P-C4' energy: -143.003 flat angles C4'-P-C4' energy: -150.755 flat angles P-C4'-P energy: -109.242 tors. eta vs tors. theta energy: -223.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2527.124352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.124352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.124352 (E_RNA) where: Base-Base interactions energy: -1792.408 where: short stacking energy: -721.792 Base-Backbone interact. energy: -3.343 local terms energy: -731.373567 where: bonds (distance) C4'-P energy: -123.102 bonds (distance) P-C4' energy: -137.779 flat angles C4'-P-C4' energy: -146.977 flat angles P-C4'-P energy: -94.879 tors. eta vs tors. theta energy: -228.637 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: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2529.144156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.144156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.144156 (E_RNA) where: Base-Base interactions energy: -1785.230 where: short stacking energy: -716.872 Base-Backbone interact. energy: -2.831 local terms energy: -741.083235 where: bonds (distance) C4'-P energy: -134.141 bonds (distance) P-C4' energy: -121.423 flat angles C4'-P-C4' energy: -155.028 flat angles P-C4'-P energy: -108.753 tors. eta vs tors. theta energy: -221.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2387.744280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.744280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.744280 (E_RNA) where: Base-Base interactions energy: -1680.473 where: short stacking energy: -693.993 Base-Backbone interact. energy: -3.480 local terms energy: -703.791126 where: bonds (distance) C4'-P energy: -116.081 bonds (distance) P-C4' energy: -120.954 flat angles C4'-P-C4' energy: -145.636 flat angles P-C4'-P energy: -100.045 tors. eta vs tors. theta energy: -221.075 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: 181 Temperature: 1.150000 Total energy: -2247.570893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.570893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.570893 (E_RNA) where: Base-Base interactions energy: -1621.716 where: short stacking energy: -665.127 Base-Backbone interact. energy: 3.170 local terms energy: -629.025019 where: bonds (distance) C4'-P energy: -104.125 bonds (distance) P-C4' energy: -120.334 flat angles C4'-P-C4' energy: -124.556 flat angles P-C4'-P energy: -85.690 tors. eta vs tors. theta energy: -194.321 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: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1969.920634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.920634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.920634 (E_RNA) where: Base-Base interactions energy: -1364.993 where: short stacking energy: -572.884 Base-Backbone interact. energy: -1.423 local terms energy: -603.504816 where: bonds (distance) C4'-P energy: -94.933 bonds (distance) P-C4' energy: -124.567 flat angles C4'-P-C4' energy: -136.215 flat angles P-C4'-P energy: -88.514 tors. eta vs tors. theta energy: -159.276 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: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1622.188454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.188454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.188454 (E_RNA) where: Base-Base interactions energy: -1096.471 where: short stacking energy: -467.301 Base-Backbone interact. energy: -1.626 local terms energy: -524.091826 where: bonds (distance) C4'-P energy: -105.872 bonds (distance) P-C4' energy: -101.097 flat angles C4'-P-C4' energy: -118.017 flat angles P-C4'-P energy: -84.208 tors. eta vs tors. theta energy: -114.898 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: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1565.499393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.499393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.499393 (E_RNA) where: Base-Base interactions energy: -1067.056 where: short stacking energy: -457.734 Base-Backbone interact. energy: -1.624 local terms energy: -496.819316 where: bonds (distance) C4'-P energy: -107.754 bonds (distance) P-C4' energy: -100.857 flat angles C4'-P-C4' energy: -106.272 flat angles P-C4'-P energy: -92.155 tors. eta vs tors. theta energy: -89.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1020.889597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.889597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.889597 (E_RNA) where: Base-Base interactions energy: -646.365 where: short stacking energy: -305.633 Base-Backbone interact. energy: -2.707 local terms energy: -371.817476 where: bonds (distance) C4'-P energy: -88.035 bonds (distance) P-C4' energy: -110.583 flat angles C4'-P-C4' energy: -106.760 flat angles P-C4'-P energy: -49.928 tors. eta vs tors. theta energy: -16.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2646.157316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.157316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.157316 (E_RNA) where: Base-Base interactions energy: -1878.702 where: short stacking energy: -758.377 Base-Backbone interact. energy: -0.431 local terms energy: -767.024461 where: bonds (distance) C4'-P energy: -137.534 bonds (distance) P-C4' energy: -136.110 flat angles C4'-P-C4' energy: -161.962 flat angles P-C4'-P energy: -104.331 tors. eta vs tors. theta energy: -227.087 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: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2572.254315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.254315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.254315 (E_RNA) where: Base-Base interactions energy: -1818.328 where: short stacking energy: -754.171 Base-Backbone interact. energy: -0.069 local terms energy: -753.856858 where: bonds (distance) C4'-P energy: -130.411 bonds (distance) P-C4' energy: -131.307 flat angles C4'-P-C4' energy: -143.999 flat angles P-C4'-P energy: -111.789 tors. eta vs tors. theta energy: -236.351 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: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2600.671812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.671812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.671812 (E_RNA) where: Base-Base interactions energy: -1843.191 where: short stacking energy: -740.906 Base-Backbone interact. energy: 0.847 local terms energy: -758.327988 where: bonds (distance) C4'-P energy: -142.658 bonds (distance) P-C4' energy: -116.637 flat angles C4'-P-C4' energy: -164.125 flat angles P-C4'-P energy: -99.442 tors. eta vs tors. theta energy: -235.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2462.387085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.387085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.387085 (E_RNA) where: Base-Base interactions energy: -1759.367 where: short stacking energy: -718.568 Base-Backbone interact. energy: 0.265 local terms energy: -703.284907 where: bonds (distance) C4'-P energy: -120.227 bonds (distance) P-C4' energy: -114.962 flat angles C4'-P-C4' energy: -153.945 flat angles P-C4'-P energy: -90.769 tors. eta vs tors. theta energy: -223.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2422.561250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.561250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.561250 (E_RNA) where: Base-Base interactions energy: -1718.122 where: short stacking energy: -711.360 Base-Backbone interact. energy: -2.822 local terms energy: -701.617239 where: bonds (distance) C4'-P energy: -120.393 bonds (distance) P-C4' energy: -119.104 flat angles C4'-P-C4' energy: -141.189 flat angles P-C4'-P energy: -97.459 tors. eta vs tors. theta energy: -223.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2284.990521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.990521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.990521 (E_RNA) where: Base-Base interactions energy: -1622.061 where: short stacking energy: -655.744 Base-Backbone interact. energy: -2.960 local terms energy: -659.969245 where: bonds (distance) C4'-P energy: -113.635 bonds (distance) P-C4' energy: -120.423 flat angles C4'-P-C4' energy: -140.259 flat angles P-C4'-P energy: -85.989 tors. eta vs tors. theta energy: -199.662 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: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2005.695531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.695531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.695531 (E_RNA) where: Base-Base interactions energy: -1389.861 where: short stacking energy: -545.980 Base-Backbone interact. energy: -1.874 local terms energy: -613.960367 where: bonds (distance) C4'-P energy: -119.978 bonds (distance) P-C4' energy: -108.181 flat angles C4'-P-C4' energy: -139.572 flat angles P-C4'-P energy: -95.095 tors. eta vs tors. theta energy: -151.134 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: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1607.732013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.732013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.732013 (E_RNA) where: Base-Base interactions energy: -1090.540 where: short stacking energy: -462.189 Base-Backbone interact. energy: -0.393 local terms energy: -516.798923 where: bonds (distance) C4'-P energy: -100.647 bonds (distance) P-C4' energy: -115.907 flat angles C4'-P-C4' energy: -113.744 flat angles P-C4'-P energy: -75.921 tors. eta vs tors. theta energy: -110.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1592.119023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.119023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.119023 (E_RNA) where: Base-Base interactions energy: -1100.245 where: short stacking energy: -460.164 Base-Backbone interact. energy: -1.832 local terms energy: -490.041897 where: bonds (distance) C4'-P energy: -95.447 bonds (distance) P-C4' energy: -115.421 flat angles C4'-P-C4' energy: -103.164 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -111.258 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: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -988.697425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.697425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.697425 (E_RNA) where: Base-Base interactions energy: -562.375 where: short stacking energy: -280.174 Base-Backbone interact. energy: 1.416 local terms energy: -427.738949 where: bonds (distance) C4'-P energy: -112.605 bonds (distance) P-C4' energy: -110.223 flat angles C4'-P-C4' energy: -113.679 flat angles P-C4'-P energy: -50.430 tors. eta vs tors. theta energy: -40.802 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: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2653.986630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.986630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.986630 (E_RNA) where: Base-Base interactions energy: -1877.719 where: short stacking energy: -765.038 Base-Backbone interact. energy: -1.886 local terms energy: -774.381128 where: bonds (distance) C4'-P energy: -133.500 bonds (distance) P-C4' energy: -128.293 flat angles C4'-P-C4' energy: -165.125 flat angles P-C4'-P energy: -115.439 tors. eta vs tors. theta energy: -232.024 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: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2595.577837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.577837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.577837 (E_RNA) where: Base-Base interactions energy: -1857.313 where: short stacking energy: -765.259 Base-Backbone interact. energy: -1.900 local terms energy: -736.365602 where: bonds (distance) C4'-P energy: -133.091 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -147.175 flat angles P-C4'-P energy: -100.819 tors. eta vs tors. theta energy: -231.793 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: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2564.127053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.127053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.127053 (E_RNA) where: Base-Base interactions energy: -1835.358 where: short stacking energy: -719.794 Base-Backbone interact. energy: -3.291 local terms energy: -725.478131 where: bonds (distance) C4'-P energy: -112.539 bonds (distance) P-C4' energy: -130.832 flat angles C4'-P-C4' energy: -158.373 flat angles P-C4'-P energy: -99.405 tors. eta vs tors. theta energy: -224.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2465.539882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.539882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.539882 (E_RNA) where: Base-Base interactions energy: -1775.441 where: short stacking energy: -720.346 Base-Backbone interact. energy: -1.066 local terms energy: -689.033050 where: bonds (distance) C4'-P energy: -117.961 bonds (distance) P-C4' energy: -109.558 flat angles C4'-P-C4' energy: -146.104 flat angles P-C4'-P energy: -89.665 tors. eta vs tors. theta energy: -225.746 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: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2401.212115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.212115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.212115 (E_RNA) where: Base-Base interactions energy: -1713.941 where: short stacking energy: -701.940 Base-Backbone interact. energy: 1.094 local terms energy: -688.364682 where: bonds (distance) C4'-P energy: -117.617 bonds (distance) P-C4' energy: -126.154 flat angles C4'-P-C4' energy: -133.388 flat angles P-C4'-P energy: -97.103 tors. eta vs tors. theta energy: -214.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2306.574519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.574519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.574519 (E_RNA) where: Base-Base interactions energy: -1630.325 where: short stacking energy: -664.271 Base-Backbone interact. energy: 1.096 local terms energy: -677.345375 where: bonds (distance) C4'-P energy: -130.262 bonds (distance) P-C4' energy: -121.912 flat angles C4'-P-C4' energy: -146.314 flat angles P-C4'-P energy: -79.842 tors. eta vs tors. theta energy: -199.015 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: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2030.828609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.828609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.828609 (E_RNA) where: Base-Base interactions energy: -1426.810 where: short stacking energy: -588.321 Base-Backbone interact. energy: 0.183 local terms energy: -604.201581 where: bonds (distance) C4'-P energy: -102.195 bonds (distance) P-C4' energy: -122.112 flat angles C4'-P-C4' energy: -135.464 flat angles P-C4'-P energy: -76.477 tors. eta vs tors. theta energy: -167.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1642.822496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.822496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.822496 (E_RNA) where: Base-Base interactions energy: -1112.374 where: short stacking energy: -466.428 Base-Backbone interact. energy: -0.633 local terms energy: -529.816081 where: bonds (distance) C4'-P energy: -97.161 bonds (distance) P-C4' energy: -110.291 flat angles C4'-P-C4' energy: -133.474 flat angles P-C4'-P energy: -82.103 tors. eta vs tors. theta energy: -106.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1625.544044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.544044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.544044 (E_RNA) where: Base-Base interactions energy: -1103.185 where: short stacking energy: -481.692 Base-Backbone interact. energy: -2.979 local terms energy: -519.380694 where: bonds (distance) C4'-P energy: -105.407 bonds (distance) P-C4' energy: -102.055 flat angles C4'-P-C4' energy: -111.116 flat angles P-C4'-P energy: -87.008 tors. eta vs tors. theta energy: -113.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -932.327784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.327784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.327784 (E_RNA) where: Base-Base interactions energy: -552.650 where: short stacking energy: -273.044 Base-Backbone interact. energy: -3.966 local terms energy: -375.711980 where: bonds (distance) C4'-P energy: -99.895 bonds (distance) P-C4' energy: -90.854 flat angles C4'-P-C4' energy: -99.868 flat angles P-C4'-P energy: -54.333 tors. eta vs tors. theta energy: -30.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2625.009667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.009667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.009667 (E_RNA) where: Base-Base interactions energy: -1867.396 where: short stacking energy: -774.674 Base-Backbone interact. energy: -0.680 local terms energy: -756.933010 where: bonds (distance) C4'-P energy: -119.972 bonds (distance) P-C4' energy: -122.014 flat angles C4'-P-C4' energy: -161.613 flat angles P-C4'-P energy: -117.608 tors. eta vs tors. theta energy: -235.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2598.456858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.456858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.456858 (E_RNA) where: Base-Base interactions energy: -1838.094 where: short stacking energy: -752.829 Base-Backbone interact. energy: 0.785 local terms energy: -761.147564 where: bonds (distance) C4'-P energy: -129.086 bonds (distance) P-C4' energy: -138.009 flat angles C4'-P-C4' energy: -158.885 flat angles P-C4'-P energy: -106.956 tors. eta vs tors. theta energy: -228.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2563.695928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.695928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.695928 (E_RNA) where: Base-Base interactions energy: -1837.308 where: short stacking energy: -726.570 Base-Backbone interact. energy: -1.252 local terms energy: -725.135355 where: bonds (distance) C4'-P energy: -103.629 bonds (distance) P-C4' energy: -132.703 flat angles C4'-P-C4' energy: -154.738 flat angles P-C4'-P energy: -103.135 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: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2457.326895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.326895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.326895 (E_RNA) where: Base-Base interactions energy: -1737.726 where: short stacking energy: -713.741 Base-Backbone interact. energy: -0.302 local terms energy: -719.298838 where: bonds (distance) C4'-P energy: -127.525 bonds (distance) P-C4' energy: -133.198 flat angles C4'-P-C4' energy: -147.248 flat angles P-C4'-P energy: -98.110 tors. eta vs tors. theta energy: -213.217 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: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2401.031710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.031710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.031710 (E_RNA) where: Base-Base interactions energy: -1700.142 where: short stacking energy: -689.871 Base-Backbone interact. energy: -0.349 local terms energy: -700.540857 where: bonds (distance) C4'-P energy: -123.734 bonds (distance) P-C4' energy: -126.262 flat angles C4'-P-C4' energy: -148.028 flat angles P-C4'-P energy: -96.321 tors. eta vs tors. theta energy: -206.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2322.130734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.130734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.130734 (E_RNA) where: Base-Base interactions energy: -1652.294 where: short stacking energy: -668.092 Base-Backbone interact. energy: -2.911 local terms energy: -666.926053 where: bonds (distance) C4'-P energy: -110.073 bonds (distance) P-C4' energy: -115.989 flat angles C4'-P-C4' energy: -149.957 flat angles P-C4'-P energy: -92.297 tors. eta vs tors. theta energy: -198.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2024.241004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.241004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.241004 (E_RNA) where: Base-Base interactions energy: -1400.532 where: short stacking energy: -601.802 Base-Backbone interact. energy: 0.608 local terms energy: -624.316511 where: bonds (distance) C4'-P energy: -106.272 bonds (distance) P-C4' energy: -115.000 flat angles C4'-P-C4' energy: -141.657 flat angles P-C4'-P energy: -81.820 tors. eta vs tors. theta energy: -179.567 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: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1650.458535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.458535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.458535 (E_RNA) where: Base-Base interactions energy: -1124.850 where: short stacking energy: -465.005 Base-Backbone interact. energy: -0.880 local terms energy: -524.729103 where: bonds (distance) C4'-P energy: -107.229 bonds (distance) P-C4' energy: -121.418 flat angles C4'-P-C4' energy: -122.882 flat angles P-C4'-P energy: -69.866 tors. eta vs tors. theta energy: -103.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1618.727565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.727565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.727565 (E_RNA) where: Base-Base interactions energy: -1112.412 where: short stacking energy: -495.806 Base-Backbone interact. energy: 1.886 local terms energy: -508.201145 where: bonds (distance) C4'-P energy: -97.896 bonds (distance) P-C4' energy: -104.072 flat angles C4'-P-C4' energy: -104.318 flat angles P-C4'-P energy: -83.616 tors. eta vs tors. theta energy: -118.299 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: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -961.445873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.445873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.445873 (E_RNA) where: Base-Base interactions energy: -550.796 where: short stacking energy: -276.323 Base-Backbone interact. energy: -0.721 local terms energy: -409.928565 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -96.138 flat angles C4'-P-C4' energy: -92.719 flat angles P-C4'-P energy: -66.017 tors. eta vs tors. theta energy: -40.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2643.254909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.254909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.254909 (E_RNA) where: Base-Base interactions energy: -1900.362 where: short stacking energy: -773.753 Base-Backbone interact. energy: -1.878 local terms energy: -741.014753 where: bonds (distance) C4'-P energy: -105.809 bonds (distance) P-C4' energy: -130.104 flat angles C4'-P-C4' energy: -153.571 flat angles P-C4'-P energy: -114.672 tors. eta vs tors. theta energy: -236.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2585.633089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.633089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.633089 (E_RNA) where: Base-Base interactions energy: -1819.975 where: short stacking energy: -726.547 Base-Backbone interact. energy: -1.524 local terms energy: -764.133992 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -166.405 flat angles P-C4'-P energy: -100.957 tors. eta vs tors. theta energy: -231.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2538.969490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.969490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.969490 (E_RNA) where: Base-Base interactions energy: -1819.147 where: short stacking energy: -753.437 Base-Backbone interact. energy: -3.011 local terms energy: -716.811587 where: bonds (distance) C4'-P energy: -117.140 bonds (distance) P-C4' energy: -119.874 flat angles C4'-P-C4' energy: -148.791 flat angles P-C4'-P energy: -102.907 tors. eta vs tors. theta energy: -228.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2445.687351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.687351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.687351 (E_RNA) where: Base-Base interactions energy: -1717.361 where: short stacking energy: -701.051 Base-Backbone interact. energy: 1.836 local terms energy: -730.162632 where: bonds (distance) C4'-P energy: -118.644 bonds (distance) P-C4' energy: -130.630 flat angles C4'-P-C4' energy: -155.371 flat angles P-C4'-P energy: -100.320 tors. eta vs tors. theta energy: -225.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2420.791342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.791342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.791342 (E_RNA) where: Base-Base interactions energy: -1726.834 where: short stacking energy: -704.141 Base-Backbone interact. energy: -1.690 local terms energy: -692.266922 where: bonds (distance) C4'-P energy: -121.957 bonds (distance) P-C4' energy: -127.995 flat angles C4'-P-C4' energy: -139.028 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -206.527 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: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2278.563612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.563612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.563612 (E_RNA) where: Base-Base interactions energy: -1621.292 where: short stacking energy: -668.153 Base-Backbone interact. energy: -1.224 local terms energy: -656.048171 where: bonds (distance) C4'-P energy: -102.673 bonds (distance) P-C4' energy: -118.003 flat angles C4'-P-C4' energy: -149.161 flat angles P-C4'-P energy: -84.028 tors. eta vs tors. theta energy: -202.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1986.915804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.915804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.915804 (E_RNA) where: Base-Base interactions energy: -1365.798 where: short stacking energy: -581.953 Base-Backbone interact. energy: -0.136 local terms energy: -620.981777 where: bonds (distance) C4'-P energy: -122.905 bonds (distance) P-C4' energy: -104.602 flat angles C4'-P-C4' energy: -141.933 flat angles P-C4'-P energy: -74.460 tors. eta vs tors. theta energy: -177.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1627.829544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.829544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.829544 (E_RNA) where: Base-Base interactions energy: -1108.770 where: short stacking energy: -464.970 Base-Backbone interact. energy: -0.799 local terms energy: -518.260255 where: bonds (distance) C4'-P energy: -110.462 bonds (distance) P-C4' energy: -102.670 flat angles C4'-P-C4' energy: -112.287 flat angles P-C4'-P energy: -63.657 tors. eta vs tors. theta energy: -129.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1497.158437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.158437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.158437 (E_RNA) where: Base-Base interactions energy: -988.249 where: short stacking energy: -439.766 Base-Backbone interact. energy: 3.852 local terms energy: -512.761900 where: bonds (distance) C4'-P energy: -112.610 bonds (distance) P-C4' energy: -115.345 flat angles C4'-P-C4' energy: -108.479 flat angles P-C4'-P energy: -76.598 tors. eta vs tors. theta energy: -99.731 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: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -937.370763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.370763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.370763 (E_RNA) where: Base-Base interactions energy: -544.673 where: short stacking energy: -277.946 Base-Backbone interact. energy: -3.231 local terms energy: -389.467357 where: bonds (distance) C4'-P energy: -117.270 bonds (distance) P-C4' energy: -98.696 flat angles C4'-P-C4' energy: -101.783 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -31.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2651.970105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.970105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.970105 (E_RNA) where: Base-Base interactions energy: -1882.694 where: short stacking energy: -782.191 Base-Backbone interact. energy: -2.915 local terms energy: -766.360509 where: bonds (distance) C4'-P energy: -128.371 bonds (distance) P-C4' energy: -124.325 flat angles C4'-P-C4' energy: -165.934 flat angles P-C4'-P energy: -114.492 tors. eta vs tors. theta energy: -233.239 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: 186 Temperature: 0.950000 Total energy: -2594.437771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.437771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.437771 (E_RNA) where: Base-Base interactions energy: -1850.574 where: short stacking energy: -743.118 Base-Backbone interact. energy: -0.913 local terms energy: -742.951110 where: bonds (distance) C4'-P energy: -128.936 bonds (distance) P-C4' energy: -136.598 flat angles C4'-P-C4' energy: -146.533 flat angles P-C4'-P energy: -103.546 tors. eta vs tors. theta energy: -227.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2569.176571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.176571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.176571 (E_RNA) where: Base-Base interactions energy: -1851.223 where: short stacking energy: -756.880 Base-Backbone interact. energy: -1.907 local terms energy: -716.046118 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -118.871 flat angles C4'-P-C4' energy: -148.710 flat angles P-C4'-P energy: -93.058 tors. eta vs tors. theta energy: -239.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2485.035376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.035376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.035376 (E_RNA) where: Base-Base interactions energy: -1765.111 where: short stacking energy: -702.392 Base-Backbone interact. energy: -1.821 local terms energy: -718.104013 where: bonds (distance) C4'-P energy: -129.467 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -148.396 flat angles P-C4'-P energy: -105.299 tors. eta vs tors. theta energy: -220.888 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: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2390.160834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.160834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.160834 (E_RNA) where: Base-Base interactions energy: -1687.384 where: short stacking energy: -685.451 Base-Backbone interact. energy: -1.837 local terms energy: -700.939751 where: bonds (distance) C4'-P energy: -111.809 bonds (distance) P-C4' energy: -126.462 flat angles C4'-P-C4' energy: -151.789 flat angles P-C4'-P energy: -96.997 tors. eta vs tors. theta energy: -213.882 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: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2304.166062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.166062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.166062 (E_RNA) where: Base-Base interactions energy: -1621.723 where: short stacking energy: -675.236 Base-Backbone interact. energy: 3.281 local terms energy: -685.723971 where: bonds (distance) C4'-P energy: -118.213 bonds (distance) P-C4' energy: -119.807 flat angles C4'-P-C4' energy: -138.860 flat angles P-C4'-P energy: -95.909 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: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1979.900314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.900314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.900314 (E_RNA) where: Base-Base interactions energy: -1348.136 where: short stacking energy: -561.269 Base-Backbone interact. energy: 0.441 local terms energy: -632.205604 where: bonds (distance) C4'-P energy: -120.964 bonds (distance) P-C4' energy: -119.215 flat angles C4'-P-C4' energy: -135.147 flat angles P-C4'-P energy: -91.755 tors. eta vs tors. theta energy: -165.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1572.843685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.843685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.843685 (E_RNA) where: Base-Base interactions energy: -1051.837 where: short stacking energy: -445.882 Base-Backbone interact. energy: -4.370 local terms energy: -516.636829 where: bonds (distance) C4'-P energy: -106.337 bonds (distance) P-C4' energy: -111.362 flat angles C4'-P-C4' energy: -120.561 flat angles P-C4'-P energy: -76.302 tors. eta vs tors. theta energy: -102.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1357.947289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.947289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.947289 (E_RNA) where: Base-Base interactions energy: -876.315 where: short stacking energy: -385.929 Base-Backbone interact. energy: -2.378 local terms energy: -479.254414 where: bonds (distance) C4'-P energy: -96.998 bonds (distance) P-C4' energy: -112.329 flat angles C4'-P-C4' energy: -116.956 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: -79.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -889.310356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.310356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.310356 (E_RNA) where: Base-Base interactions energy: -507.482 where: short stacking energy: -253.618 Base-Backbone interact. energy: -2.323 local terms energy: -379.505423 where: bonds (distance) C4'-P energy: -86.408 bonds (distance) P-C4' energy: -115.986 flat angles C4'-P-C4' energy: -84.944 flat angles P-C4'-P energy: -60.906 tors. eta vs tors. theta energy: -31.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2636.539935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.539935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.539935 (E_RNA) where: Base-Base interactions energy: -1875.378 where: short stacking energy: -781.856 Base-Backbone interact. energy: -2.455 local terms energy: -758.706807 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -126.701 flat angles C4'-P-C4' energy: -160.844 flat angles P-C4'-P energy: -101.738 tors. eta vs tors. theta energy: -224.416 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: 187 Temperature: 0.950000 Total energy: -2605.626059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.626059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.626059 (E_RNA) where: Base-Base interactions energy: -1853.511 where: short stacking energy: -748.981 Base-Backbone interact. energy: -1.018 local terms energy: -751.097844 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -133.201 flat angles C4'-P-C4' energy: -156.353 flat angles P-C4'-P energy: -106.990 tors. eta vs tors. theta energy: -231.552 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: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2572.114571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.114571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.114571 (E_RNA) where: Base-Base interactions energy: -1835.290 where: short stacking energy: -726.901 Base-Backbone interact. energy: -1.338 local terms energy: -735.486628 where: bonds (distance) C4'-P energy: -120.118 bonds (distance) P-C4' energy: -143.203 flat angles C4'-P-C4' energy: -149.511 flat angles P-C4'-P energy: -98.944 tors. eta vs tors. theta energy: -223.711 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: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2462.533411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.533411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.533411 (E_RNA) where: Base-Base interactions energy: -1753.130 where: short stacking energy: -733.006 Base-Backbone interact. energy: -0.002 local terms energy: -709.401005 where: bonds (distance) C4'-P energy: -113.137 bonds (distance) P-C4' energy: -115.726 flat angles C4'-P-C4' energy: -145.141 flat angles P-C4'-P energy: -107.803 tors. eta vs tors. theta energy: -227.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2394.273828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.273828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.273828 (E_RNA) where: Base-Base interactions energy: -1720.503 where: short stacking energy: -703.241 Base-Backbone interact. energy: -4.371 local terms energy: -669.399423 where: bonds (distance) C4'-P energy: -117.086 bonds (distance) P-C4' energy: -117.439 flat angles C4'-P-C4' energy: -139.075 flat angles P-C4'-P energy: -84.472 tors. eta vs tors. theta energy: -211.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2338.608266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.608266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.608266 (E_RNA) where: Base-Base interactions energy: -1674.369 where: short stacking energy: -681.655 Base-Backbone interact. energy: -2.263 local terms energy: -661.975707 where: bonds (distance) C4'-P energy: -109.903 bonds (distance) P-C4' energy: -114.458 flat angles C4'-P-C4' energy: -145.794 flat angles P-C4'-P energy: -83.083 tors. eta vs tors. theta energy: -208.738 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: 7, replica: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1977.071182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.071182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.071182 (E_RNA) where: Base-Base interactions energy: -1383.995 where: short stacking energy: -577.652 Base-Backbone interact. energy: 1.346 local terms energy: -594.422571 where: bonds (distance) C4'-P energy: -100.176 bonds (distance) P-C4' energy: -116.539 flat angles C4'-P-C4' energy: -136.500 flat angles P-C4'-P energy: -82.949 tors. eta vs tors. theta energy: -158.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1653.867380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.867380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.867380 (E_RNA) where: Base-Base interactions energy: -1137.183 where: short stacking energy: -489.539 Base-Backbone interact. energy: -0.559 local terms energy: -516.125112 where: bonds (distance) C4'-P energy: -109.346 bonds (distance) P-C4' energy: -109.650 flat angles C4'-P-C4' energy: -109.476 flat angles P-C4'-P energy: -81.546 tors. eta vs tors. theta energy: -106.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1337.917776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.917776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.917776 (E_RNA) where: Base-Base interactions energy: -882.271 where: short stacking energy: -385.046 Base-Backbone interact. energy: -2.056 local terms energy: -453.590127 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -103.376 flat angles C4'-P-C4' energy: -96.561 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -78.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -934.589315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.589315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.589315 (E_RNA) where: Base-Base interactions energy: -531.303 where: short stacking energy: -254.451 Base-Backbone interact. energy: 0.853 local terms energy: -404.139883 where: bonds (distance) C4'-P energy: -102.594 bonds (distance) P-C4' energy: -108.350 flat angles C4'-P-C4' energy: -105.921 flat angles P-C4'-P energy: -63.928 tors. eta vs tors. theta energy: -23.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2644.014412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.014412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.014412 (E_RNA) where: Base-Base interactions energy: -1890.930 where: short stacking energy: -770.283 Base-Backbone interact. energy: -0.791 local terms energy: -752.293512 where: bonds (distance) C4'-P energy: -125.906 bonds (distance) P-C4' energy: -127.415 flat angles C4'-P-C4' energy: -154.815 flat angles P-C4'-P energy: -109.009 tors. eta vs tors. theta energy: -235.148 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: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2585.542945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.542945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.542945 (E_RNA) where: Base-Base interactions energy: -1809.496 where: short stacking energy: -754.044 Base-Backbone interact. energy: 0.566 local terms energy: -776.612890 where: bonds (distance) C4'-P energy: -148.701 bonds (distance) P-C4' energy: -126.691 flat angles C4'-P-C4' energy: -166.633 flat angles P-C4'-P energy: -101.941 tors. eta vs tors. theta energy: -232.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2533.208532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.208532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.208532 (E_RNA) where: Base-Base interactions energy: -1820.041 where: short stacking energy: -732.426 Base-Backbone interact. energy: -0.026 local terms energy: -713.141655 where: bonds (distance) C4'-P energy: -118.269 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -157.090 flat angles P-C4'-P energy: -102.749 tors. eta vs tors. theta energy: -229.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2443.469865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.469865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.469865 (E_RNA) where: Base-Base interactions energy: -1726.380 where: short stacking energy: -676.634 Base-Backbone interact. energy: 0.381 local terms energy: -717.471580 where: bonds (distance) C4'-P energy: -132.905 bonds (distance) P-C4' energy: -111.797 flat angles C4'-P-C4' energy: -151.197 flat angles P-C4'-P energy: -99.225 tors. eta vs tors. theta energy: -222.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2379.877087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.877087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.877087 (E_RNA) where: Base-Base interactions energy: -1680.402 where: short stacking energy: -682.009 Base-Backbone interact. energy: -2.067 local terms energy: -697.407815 where: bonds (distance) C4'-P energy: -112.093 bonds (distance) P-C4' energy: -124.433 flat angles C4'-P-C4' energy: -143.155 flat angles P-C4'-P energy: -110.077 tors. eta vs tors. theta energy: -207.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2294.014980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.014980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.014980 (E_RNA) where: Base-Base interactions energy: -1634.793 where: short stacking energy: -669.236 Base-Backbone interact. energy: -4.092 local terms energy: -655.129770 where: bonds (distance) C4'-P energy: -103.335 bonds (distance) P-C4' energy: -114.828 flat angles C4'-P-C4' energy: -138.373 flat angles P-C4'-P energy: -95.938 tors. eta vs tors. theta energy: -202.655 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: 188 Temperature: 1.200000 Total energy: -2008.800103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.800103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.800103 (E_RNA) where: Base-Base interactions energy: -1416.775 where: short stacking energy: -588.214 Base-Backbone interact. energy: -1.932 local terms energy: -590.093493 where: bonds (distance) C4'-P energy: -113.542 bonds (distance) P-C4' energy: -93.132 flat angles C4'-P-C4' energy: -132.182 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -170.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1715.832117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.832117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.832117 (E_RNA) where: Base-Base interactions energy: -1187.746 where: short stacking energy: -482.796 Base-Backbone interact. energy: 2.787 local terms energy: -530.872787 where: bonds (distance) C4'-P energy: -96.175 bonds (distance) P-C4' energy: -96.879 flat angles C4'-P-C4' energy: -134.603 flat angles P-C4'-P energy: -83.767 tors. eta vs tors. theta energy: -119.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1467.477935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.477935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.477935 (E_RNA) where: Base-Base interactions energy: -978.239 where: short stacking energy: -415.973 Base-Backbone interact. energy: -0.105 local terms energy: -489.134238 where: bonds (distance) C4'-P energy: -101.045 bonds (distance) P-C4' energy: -115.863 flat angles C4'-P-C4' energy: -109.585 flat angles P-C4'-P energy: -73.998 tors. eta vs tors. theta energy: -88.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -867.559902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.559902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.559902 (E_RNA) where: Base-Base interactions energy: -486.094 where: short stacking energy: -216.598 Base-Backbone interact. energy: -0.963 local terms energy: -380.503210 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -118.858 flat angles C4'-P-C4' energy: -87.743 flat angles P-C4'-P energy: -55.074 tors. eta vs tors. theta energy: 1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2654.973794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.973794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.973794 (E_RNA) where: Base-Base interactions energy: -1880.161 where: short stacking energy: -745.613 Base-Backbone interact. energy: -2.384 local terms energy: -772.429059 where: bonds (distance) C4'-P energy: -132.873 bonds (distance) P-C4' energy: -144.389 flat angles C4'-P-C4' energy: -159.558 flat angles P-C4'-P energy: -103.740 tors. eta vs tors. theta energy: -231.869 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: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2607.216466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.216466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.216466 (E_RNA) where: Base-Base interactions energy: -1853.219 where: short stacking energy: -770.421 Base-Backbone interact. energy: -0.519 local terms energy: -753.478382 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -122.129 flat angles C4'-P-C4' energy: -163.376 flat angles P-C4'-P energy: -106.855 tors. eta vs tors. theta energy: -232.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2558.907687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.907687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.907687 (E_RNA) where: Base-Base interactions energy: -1846.423 where: short stacking energy: -740.654 Base-Backbone interact. energy: 0.623 local terms energy: -713.108439 where: bonds (distance) C4'-P energy: -130.876 bonds (distance) P-C4' energy: -117.223 flat angles C4'-P-C4' energy: -141.378 flat angles P-C4'-P energy: -96.426 tors. eta vs tors. theta energy: -227.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2455.696792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.696792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.696792 (E_RNA) where: Base-Base interactions energy: -1742.718 where: short stacking energy: -695.137 Base-Backbone interact. energy: -3.225 local terms energy: -709.753240 where: bonds (distance) C4'-P energy: -115.720 bonds (distance) P-C4' energy: -121.896 flat angles C4'-P-C4' energy: -153.070 flat angles P-C4'-P energy: -97.739 tors. eta vs tors. theta energy: -221.328 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: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2409.601038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.601038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.601038 (E_RNA) where: Base-Base interactions energy: -1705.178 where: short stacking energy: -702.728 Base-Backbone interact. energy: -0.777 local terms energy: -703.645805 where: bonds (distance) C4'-P energy: -115.465 bonds (distance) P-C4' energy: -113.057 flat angles C4'-P-C4' energy: -147.927 flat angles P-C4'-P energy: -112.263 tors. eta vs tors. theta energy: -214.934 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: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2326.854815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.854815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.854815 (E_RNA) where: Base-Base interactions energy: -1653.825 where: short stacking energy: -683.883 Base-Backbone interact. energy: -3.150 local terms energy: -669.880265 where: bonds (distance) C4'-P energy: -121.961 bonds (distance) P-C4' energy: -112.609 flat angles C4'-P-C4' energy: -131.857 flat angles P-C4'-P energy: -100.574 tors. eta vs tors. theta energy: -202.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2032.403022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.403022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.403022 (E_RNA) where: Base-Base interactions energy: -1411.109 where: short stacking energy: -583.799 Base-Backbone interact. energy: 1.053 local terms energy: -622.346723 where: bonds (distance) C4'-P energy: -111.352 bonds (distance) P-C4' energy: -109.563 flat angles C4'-P-C4' energy: -146.039 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -166.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1765.462095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.462095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.462095 (E_RNA) where: Base-Base interactions energy: -1167.936 where: short stacking energy: -481.953 Base-Backbone interact. energy: -1.472 local terms energy: -596.053824 where: bonds (distance) C4'-P energy: -123.820 bonds (distance) P-C4' energy: -119.407 flat angles C4'-P-C4' energy: -118.597 flat angles P-C4'-P energy: -85.675 tors. eta vs tors. theta energy: -148.555 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: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1438.993654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.993654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.993654 (E_RNA) where: Base-Base interactions energy: -957.312 where: short stacking energy: -432.796 Base-Backbone interact. energy: 1.589 local terms energy: -483.270988 where: bonds (distance) C4'-P energy: -103.111 bonds (distance) P-C4' energy: -121.728 flat angles C4'-P-C4' energy: -111.667 flat angles P-C4'-P energy: -62.980 tors. eta vs tors. theta energy: -83.785 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: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -929.859559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.859559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.859559 (E_RNA) where: Base-Base interactions energy: -550.591 where: short stacking energy: -285.157 Base-Backbone interact. energy: -0.537 local terms energy: -378.731039 where: bonds (distance) C4'-P energy: -88.838 bonds (distance) P-C4' energy: -101.583 flat angles C4'-P-C4' energy: -104.767 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -25.308 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: 190 Temperature: 0.900000 Total energy: -2659.365410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.365410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.365410 (E_RNA) where: Base-Base interactions energy: -1881.901 where: short stacking energy: -749.630 Base-Backbone interact. energy: 0.387 local terms energy: -777.851852 where: bonds (distance) C4'-P energy: -127.608 bonds (distance) P-C4' energy: -143.416 flat angles C4'-P-C4' energy: -163.449 flat angles P-C4'-P energy: -110.415 tors. eta vs tors. theta energy: -232.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2577.784168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.784168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.784168 (E_RNA) where: Base-Base interactions energy: -1831.038 where: short stacking energy: -747.149 Base-Backbone interact. energy: -3.705 local terms energy: -743.041178 where: bonds (distance) C4'-P energy: -131.275 bonds (distance) P-C4' energy: -131.150 flat angles C4'-P-C4' energy: -149.848 flat angles P-C4'-P energy: -100.714 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: 3, replica: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2525.776548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.776548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.776548 (E_RNA) where: Base-Base interactions energy: -1799.336 where: short stacking energy: -731.928 Base-Backbone interact. energy: -1.713 local terms energy: -724.727512 where: bonds (distance) C4'-P energy: -125.475 bonds (distance) P-C4' energy: -120.191 flat angles C4'-P-C4' energy: -143.992 flat angles P-C4'-P energy: -108.828 tors. eta vs tors. theta energy: -226.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2472.652280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.652280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.652280 (E_RNA) where: Base-Base interactions energy: -1759.620 where: short stacking energy: -736.353 Base-Backbone interact. energy: -2.096 local terms energy: -710.935978 where: bonds (distance) C4'-P energy: -125.404 bonds (distance) P-C4' energy: -122.260 flat angles C4'-P-C4' energy: -143.166 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -226.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2383.789026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.789026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.789026 (E_RNA) where: Base-Base interactions energy: -1697.295 where: short stacking energy: -687.233 Base-Backbone interact. energy: -2.615 local terms energy: -683.879737 where: bonds (distance) C4'-P energy: -108.943 bonds (distance) P-C4' energy: -104.145 flat angles C4'-P-C4' energy: -151.319 flat angles P-C4'-P energy: -99.703 tors. eta vs tors. theta energy: -219.770 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: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2285.194159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.194159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.194159 (E_RNA) where: Base-Base interactions energy: -1639.036 where: short stacking energy: -644.470 Base-Backbone interact. energy: 0.949 local terms energy: -647.107081 where: bonds (distance) C4'-P energy: -114.016 bonds (distance) P-C4' energy: -116.181 flat angles C4'-P-C4' energy: -138.179 flat angles P-C4'-P energy: -88.437 tors. eta vs tors. theta energy: -190.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2039.598771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.598771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.598771 (E_RNA) where: Base-Base interactions energy: -1438.935 where: short stacking energy: -597.912 Base-Backbone interact. energy: -0.341 local terms energy: -600.323103 where: bonds (distance) C4'-P energy: -98.961 bonds (distance) P-C4' energy: -111.758 flat angles C4'-P-C4' energy: -127.986 flat angles P-C4'-P energy: -91.440 tors. eta vs tors. theta energy: -170.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1774.129751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.129751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.129751 (E_RNA) where: Base-Base interactions energy: -1220.948 where: short stacking energy: -524.132 Base-Backbone interact. energy: -2.881 local terms energy: -550.300341 where: bonds (distance) C4'-P energy: -105.648 bonds (distance) P-C4' energy: -119.043 flat angles C4'-P-C4' energy: -113.627 flat angles P-C4'-P energy: -73.332 tors. eta vs tors. theta energy: -138.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1435.661891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.661891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.661891 (E_RNA) where: Base-Base interactions energy: -985.700 where: short stacking energy: -402.183 Base-Backbone interact. energy: -1.673 local terms energy: -448.288696 where: bonds (distance) C4'-P energy: -105.521 bonds (distance) P-C4' energy: -114.140 flat angles C4'-P-C4' energy: -102.394 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -76.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -859.015970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.015970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.015970 (E_RNA) where: Base-Base interactions energy: -497.245 where: short stacking energy: -249.809 Base-Backbone interact. energy: 1.728 local terms energy: -363.498826 where: bonds (distance) C4'-P energy: -104.118 bonds (distance) P-C4' energy: -107.437 flat angles C4'-P-C4' energy: -85.805 flat angles P-C4'-P energy: -57.530 tors. eta vs tors. theta energy: -8.608 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: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2686.290232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.290232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.290232 (E_RNA) where: Base-Base interactions energy: -1918.297 where: short stacking energy: -771.674 Base-Backbone interact. energy: -1.006 local terms energy: -766.987175 where: bonds (distance) C4'-P energy: -132.302 bonds (distance) P-C4' energy: -138.246 flat angles C4'-P-C4' energy: -164.258 flat angles P-C4'-P energy: -101.724 tors. eta vs tors. theta energy: -230.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2606.561458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.561458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.561458 (E_RNA) where: Base-Base interactions energy: -1850.803 where: short stacking energy: -754.394 Base-Backbone interact. energy: -2.121 local terms energy: -753.637446 where: bonds (distance) C4'-P energy: -138.570 bonds (distance) P-C4' energy: -138.280 flat angles C4'-P-C4' energy: -151.474 flat angles P-C4'-P energy: -98.743 tors. eta vs tors. theta energy: -226.571 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: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2534.915670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.915670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.915670 (E_RNA) where: Base-Base interactions energy: -1810.169 where: short stacking energy: -723.060 Base-Backbone interact. energy: -1.389 local terms energy: -723.358506 where: bonds (distance) C4'-P energy: -126.150 bonds (distance) P-C4' energy: -115.087 flat angles C4'-P-C4' energy: -150.558 flat angles P-C4'-P energy: -108.787 tors. eta vs tors. theta energy: -222.776 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: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2484.754951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.754951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.754951 (E_RNA) where: Base-Base interactions energy: -1773.148 where: short stacking energy: -711.479 Base-Backbone interact. energy: -0.494 local terms energy: -711.112910 where: bonds (distance) C4'-P energy: -116.116 bonds (distance) P-C4' energy: -133.489 flat angles C4'-P-C4' energy: -145.348 flat angles P-C4'-P energy: -87.354 tors. eta vs tors. theta energy: -228.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2366.102968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.102968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.102968 (E_RNA) where: Base-Base interactions energy: -1675.243 where: short stacking energy: -696.246 Base-Backbone interact. energy: -2.009 local terms energy: -688.850749 where: bonds (distance) C4'-P energy: -99.956 bonds (distance) P-C4' energy: -126.627 flat angles C4'-P-C4' energy: -145.063 flat angles P-C4'-P energy: -101.202 tors. eta vs tors. theta energy: -216.002 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: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2278.348181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.348181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.348181 (E_RNA) where: Base-Base interactions energy: -1616.084 where: short stacking energy: -645.411 Base-Backbone interact. energy: -0.582 local terms energy: -661.682314 where: bonds (distance) C4'-P energy: -116.360 bonds (distance) P-C4' energy: -117.885 flat angles C4'-P-C4' energy: -139.786 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -191.805 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: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1982.089532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.089532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.089532 (E_RNA) where: Base-Base interactions energy: -1374.989 where: short stacking energy: -574.329 Base-Backbone interact. energy: -1.189 local terms energy: -605.911501 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -113.134 flat angles C4'-P-C4' energy: -134.216 flat angles P-C4'-P energy: -88.036 tors. eta vs tors. theta energy: -162.419 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: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1890.661782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.661782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.661782 (E_RNA) where: Base-Base interactions energy: -1338.188 where: short stacking energy: -553.596 Base-Backbone interact. energy: -1.604 local terms energy: -550.869522 where: bonds (distance) C4'-P energy: -95.790 bonds (distance) P-C4' energy: -105.967 flat angles C4'-P-C4' energy: -126.606 flat angles P-C4'-P energy: -61.648 tors. eta vs tors. theta energy: -160.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1473.773625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.773625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.773625 (E_RNA) where: Base-Base interactions energy: -995.701 where: short stacking energy: -418.068 Base-Backbone interact. energy: -2.481 local terms energy: -475.591599 where: bonds (distance) C4'-P energy: -117.444 bonds (distance) P-C4' energy: -123.703 flat angles C4'-P-C4' energy: -81.356 flat angles P-C4'-P energy: -49.990 tors. eta vs tors. theta energy: -103.097 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: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -811.429566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.429566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.429566 (E_RNA) where: Base-Base interactions energy: -469.834 where: short stacking energy: -215.590 Base-Backbone interact. energy: 3.428 local terms energy: -345.023851 where: bonds (distance) C4'-P energy: -91.592 bonds (distance) P-C4' energy: -108.635 flat angles C4'-P-C4' energy: -97.036 flat angles P-C4'-P energy: -54.848 tors. eta vs tors. theta energy: 7.087 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: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2668.047392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.047392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.047392 (E_RNA) where: Base-Base interactions energy: -1879.938 where: short stacking energy: -761.835 Base-Backbone interact. energy: -2.688 local terms energy: -785.422276 where: bonds (distance) C4'-P energy: -143.834 bonds (distance) P-C4' energy: -135.528 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -103.583 tors. eta vs tors. theta energy: -239.535 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2579.200064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.200064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.200064 (E_RNA) where: Base-Base interactions energy: -1816.354 where: short stacking energy: -755.787 Base-Backbone interact. energy: -3.596 local terms energy: -759.250548 where: bonds (distance) C4'-P energy: -136.436 bonds (distance) P-C4' energy: -126.248 flat angles C4'-P-C4' energy: -157.358 flat angles P-C4'-P energy: -106.155 tors. eta vs tors. theta energy: -233.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2505.816427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.816427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.816427 (E_RNA) where: Base-Base interactions energy: -1798.705 where: short stacking energy: -697.275 Base-Backbone interact. energy: 3.207 local terms energy: -710.317891 where: bonds (distance) C4'-P energy: -119.750 bonds (distance) P-C4' energy: -118.101 flat angles C4'-P-C4' energy: -143.197 flat angles P-C4'-P energy: -113.423 tors. eta vs tors. theta energy: -215.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2434.220971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.220971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.220971 (E_RNA) where: Base-Base interactions energy: -1712.606 where: short stacking energy: -687.866 Base-Backbone interact. energy: -0.818 local terms energy: -720.797140 where: bonds (distance) C4'-P energy: -133.701 bonds (distance) P-C4' energy: -129.336 flat angles C4'-P-C4' energy: -150.992 flat angles P-C4'-P energy: -93.273 tors. eta vs tors. theta energy: -213.494 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: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2371.952250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.952250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.952250 (E_RNA) where: Base-Base interactions energy: -1671.519 where: short stacking energy: -689.858 Base-Backbone interact. energy: -1.416 local terms energy: -699.017728 where: bonds (distance) C4'-P energy: -108.437 bonds (distance) P-C4' energy: -117.512 flat angles C4'-P-C4' energy: -154.174 flat angles P-C4'-P energy: -106.158 tors. eta vs tors. theta energy: -212.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2315.570437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.570437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.570437 (E_RNA) where: Base-Base interactions energy: -1672.401 where: short stacking energy: -698.280 Base-Backbone interact. energy: 0.212 local terms energy: -643.381020 where: bonds (distance) C4'-P energy: -118.046 bonds (distance) P-C4' energy: -93.362 flat angles C4'-P-C4' energy: -128.013 flat angles P-C4'-P energy: -90.987 tors. eta vs tors. theta energy: -212.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2006.342859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.342859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.342859 (E_RNA) where: Base-Base interactions energy: -1390.443 where: short stacking energy: -599.857 Base-Backbone interact. energy: 2.930 local terms energy: -618.830287 where: bonds (distance) C4'-P energy: -126.238 bonds (distance) P-C4' energy: -115.852 flat angles C4'-P-C4' energy: -136.382 flat angles P-C4'-P energy: -85.654 tors. eta vs tors. theta energy: -154.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1992.962022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.962022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.962022 (E_RNA) where: Base-Base interactions energy: -1373.454 where: short stacking energy: -572.848 Base-Backbone interact. energy: 2.152 local terms energy: -621.660059 where: bonds (distance) C4'-P energy: -120.975 bonds (distance) P-C4' energy: -121.146 flat angles C4'-P-C4' energy: -130.049 flat angles P-C4'-P energy: -93.747 tors. eta vs tors. theta energy: -155.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1455.479089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.479089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.479089 (E_RNA) where: Base-Base interactions energy: -950.842 where: short stacking energy: -434.707 Base-Backbone interact. energy: -2.759 local terms energy: -501.878661 where: bonds (distance) C4'-P energy: -109.094 bonds (distance) P-C4' energy: -108.426 flat angles C4'-P-C4' energy: -122.178 flat angles P-C4'-P energy: -60.327 tors. eta vs tors. theta energy: -101.853 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: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -778.001215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.001215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.001215 (E_RNA) where: Base-Base interactions energy: -416.340 where: short stacking energy: -213.874 Base-Backbone interact. energy: -2.262 local terms energy: -359.398950 where: bonds (distance) C4'-P energy: -95.165 bonds (distance) P-C4' energy: -104.665 flat angles C4'-P-C4' energy: -109.822 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: 11.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2662.262214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.262214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.262214 (E_RNA) where: Base-Base interactions energy: -1857.218 where: short stacking energy: -734.332 Base-Backbone interact. energy: -1.626 local terms energy: -803.418208 where: bonds (distance) C4'-P energy: -133.621 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -166.728 flat angles P-C4'-P energy: -122.298 tors. eta vs tors. theta energy: -240.747 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: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2578.746381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.746381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.746381 (E_RNA) where: Base-Base interactions energy: -1834.907 where: short stacking energy: -703.651 Base-Backbone interact. energy: -0.900 local terms energy: -742.939074 where: bonds (distance) C4'-P energy: -144.150 bonds (distance) P-C4' energy: -132.707 flat angles C4'-P-C4' energy: -144.604 flat angles P-C4'-P energy: -108.393 tors. eta vs tors. theta energy: -213.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2541.984752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.984752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.984752 (E_RNA) where: Base-Base interactions energy: -1803.815 where: short stacking energy: -735.405 Base-Backbone interact. energy: -2.827 local terms energy: -735.343327 where: bonds (distance) C4'-P energy: -127.613 bonds (distance) P-C4' energy: -124.122 flat angles C4'-P-C4' energy: -152.861 flat angles P-C4'-P energy: -108.309 tors. eta vs tors. theta energy: -222.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2453.098301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.098301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.098301 (E_RNA) where: Base-Base interactions energy: -1721.366 where: short stacking energy: -741.386 Base-Backbone interact. energy: -3.328 local terms energy: -728.404432 where: bonds (distance) C4'-P energy: -136.879 bonds (distance) P-C4' energy: -100.723 flat angles C4'-P-C4' energy: -154.447 flat angles P-C4'-P energy: -102.782 tors. eta vs tors. theta energy: -233.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2357.556588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.556588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.556588 (E_RNA) where: Base-Base interactions energy: -1682.790 where: short stacking energy: -692.492 Base-Backbone interact. energy: -2.368 local terms energy: -672.398241 where: bonds (distance) C4'-P energy: -97.295 bonds (distance) P-C4' energy: -114.301 flat angles C4'-P-C4' energy: -154.607 flat angles P-C4'-P energy: -94.529 tors. eta vs tors. theta energy: -211.666 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: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2306.365370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.365370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.365370 (E_RNA) where: Base-Base interactions energy: -1637.130 where: short stacking energy: -667.676 Base-Backbone interact. energy: 1.094 local terms energy: -670.329594 where: bonds (distance) C4'-P energy: -108.816 bonds (distance) P-C4' energy: -130.481 flat angles C4'-P-C4' energy: -134.349 flat angles P-C4'-P energy: -91.676 tors. eta vs tors. theta energy: -205.008 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: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1994.163780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.163780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.163780 (E_RNA) where: Base-Base interactions energy: -1382.564 where: short stacking energy: -562.282 Base-Backbone interact. energy: 0.424 local terms energy: -612.023687 where: bonds (distance) C4'-P energy: -119.348 bonds (distance) P-C4' energy: -108.047 flat angles C4'-P-C4' energy: -130.960 flat angles P-C4'-P energy: -92.948 tors. eta vs tors. theta energy: -160.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1910.087707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.087707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.087707 (E_RNA) where: Base-Base interactions energy: -1355.695 where: short stacking energy: -560.073 Base-Backbone interact. energy: 1.945 local terms energy: -556.338079 where: bonds (distance) C4'-P energy: -100.320 bonds (distance) P-C4' energy: -102.522 flat angles C4'-P-C4' energy: -132.721 flat angles P-C4'-P energy: -80.581 tors. eta vs tors. theta energy: -140.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1465.041563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.041563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.041563 (E_RNA) where: Base-Base interactions energy: -981.645 where: short stacking energy: -421.830 Base-Backbone interact. energy: 3.427 local terms energy: -486.823681 where: bonds (distance) C4'-P energy: -98.597 bonds (distance) P-C4' energy: -98.336 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -85.845 tors. eta vs tors. theta energy: -91.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -829.838968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.838968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.838968 (E_RNA) where: Base-Base interactions energy: -447.602 where: short stacking energy: -224.519 Base-Backbone interact. energy: -2.430 local terms energy: -379.806881 where: bonds (distance) C4'-P energy: -91.172 bonds (distance) P-C4' energy: -128.049 flat angles C4'-P-C4' energy: -106.608 flat angles P-C4'-P energy: -45.218 tors. eta vs tors. theta energy: -8.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2675.149346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.149346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.149346 (E_RNA) where: Base-Base interactions energy: -1883.436 where: short stacking energy: -760.705 Base-Backbone interact. energy: -2.996 local terms energy: -788.717367 where: bonds (distance) C4'-P energy: -123.186 bonds (distance) P-C4' energy: -137.486 flat angles C4'-P-C4' energy: -163.318 flat angles P-C4'-P energy: -124.467 tors. eta vs tors. theta energy: -240.260 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: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2599.549361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.549361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.549361 (E_RNA) where: Base-Base interactions energy: -1868.155 where: short stacking energy: -729.297 Base-Backbone interact. energy: 0.512 local terms energy: -731.907030 where: bonds (distance) C4'-P energy: -111.340 bonds (distance) P-C4' energy: -131.612 flat angles C4'-P-C4' energy: -154.478 flat angles P-C4'-P energy: -108.972 tors. eta vs tors. theta energy: -225.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2529.054417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.054417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.054417 (E_RNA) where: Base-Base interactions energy: -1780.463 where: short stacking energy: -711.750 Base-Backbone interact. energy: 1.422 local terms energy: -750.013167 where: bonds (distance) C4'-P energy: -115.488 bonds (distance) P-C4' energy: -144.383 flat angles C4'-P-C4' energy: -160.324 flat angles P-C4'-P energy: -110.280 tors. eta vs tors. theta energy: -219.539 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: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2453.707038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.707038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.707038 (E_RNA) where: Base-Base interactions energy: -1734.286 where: short stacking energy: -726.261 Base-Backbone interact. energy: -3.091 local terms energy: -716.330678 where: bonds (distance) C4'-P energy: -124.451 bonds (distance) P-C4' energy: -120.477 flat angles C4'-P-C4' energy: -152.950 flat angles P-C4'-P energy: -86.030 tors. eta vs tors. theta energy: -232.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2368.344677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.344677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.344677 (E_RNA) where: Base-Base interactions energy: -1694.744 where: short stacking energy: -680.723 Base-Backbone interact. energy: 1.784 local terms energy: -675.385200 where: bonds (distance) C4'-P energy: -104.466 bonds (distance) P-C4' energy: -126.306 flat angles C4'-P-C4' energy: -147.878 flat angles P-C4'-P energy: -87.809 tors. eta vs tors. theta energy: -208.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2360.370703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.370703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.370703 (E_RNA) where: Base-Base interactions energy: -1663.704 where: short stacking energy: -683.233 Base-Backbone interact. energy: -1.673 local terms energy: -694.993241 where: bonds (distance) C4'-P energy: -127.771 bonds (distance) P-C4' energy: -110.889 flat angles C4'-P-C4' energy: -154.765 flat angles P-C4'-P energy: -92.004 tors. eta vs tors. theta energy: -209.564 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: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2035.293595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.293595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.293595 (E_RNA) where: Base-Base interactions energy: -1398.861 where: short stacking energy: -552.982 Base-Backbone interact. energy: 2.502 local terms energy: -638.933870 where: bonds (distance) C4'-P energy: -125.245 bonds (distance) P-C4' energy: -106.556 flat angles C4'-P-C4' energy: -139.927 flat angles P-C4'-P energy: -102.288 tors. eta vs tors. theta energy: -164.919 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1868.802631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.802631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.802631 (E_RNA) where: Base-Base interactions energy: -1308.900 where: short stacking energy: -538.764 Base-Backbone interact. energy: -0.332 local terms energy: -559.570082 where: bonds (distance) C4'-P energy: -99.265 bonds (distance) P-C4' energy: -99.269 flat angles C4'-P-C4' energy: -133.663 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -143.734 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: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1427.647180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.647180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.647180 (E_RNA) where: Base-Base interactions energy: -929.977 where: short stacking energy: -421.912 Base-Backbone interact. energy: -0.093 local terms energy: -497.576760 where: bonds (distance) C4'-P energy: -106.401 bonds (distance) P-C4' energy: -97.458 flat angles C4'-P-C4' energy: -120.950 flat angles P-C4'-P energy: -72.343 tors. eta vs tors. theta energy: -100.425 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: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -872.505424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.505424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.505424 (E_RNA) where: Base-Base interactions energy: -514.799 where: short stacking energy: -236.683 Base-Backbone interact. energy: -1.846 local terms energy: -355.860274 where: bonds (distance) C4'-P energy: -129.739 bonds (distance) P-C4' energy: -86.993 flat angles C4'-P-C4' energy: -84.636 flat angles P-C4'-P energy: -51.757 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2669.372857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.372857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.372857 (E_RNA) where: Base-Base interactions energy: -1890.070 where: short stacking energy: -778.794 Base-Backbone interact. energy: -2.694 local terms energy: -776.608976 where: bonds (distance) C4'-P energy: -136.126 bonds (distance) P-C4' energy: -129.333 flat angles C4'-P-C4' energy: -170.936 flat angles P-C4'-P energy: -100.108 tors. eta vs tors. theta energy: -240.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2584.384166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.384166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.384166 (E_RNA) where: Base-Base interactions energy: -1855.933 where: short stacking energy: -737.397 Base-Backbone interact. energy: -3.044 local terms energy: -725.407062 where: bonds (distance) C4'-P energy: -121.566 bonds (distance) P-C4' energy: -127.878 flat angles C4'-P-C4' energy: -148.500 flat angles P-C4'-P energy: -103.405 tors. eta vs tors. theta energy: -224.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2543.479837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.479837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.479837 (E_RNA) where: Base-Base interactions energy: -1801.525 where: short stacking energy: -738.899 Base-Backbone interact. energy: 1.307 local terms energy: -743.261959 where: bonds (distance) C4'-P energy: -122.780 bonds (distance) P-C4' energy: -132.651 flat angles C4'-P-C4' energy: -156.013 flat angles P-C4'-P energy: -106.280 tors. eta vs tors. theta energy: -225.538 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: 195 Temperature: 1.050000 Total energy: -2463.157122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.157122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.157122 (E_RNA) where: Base-Base interactions energy: -1734.368 where: short stacking energy: -724.192 Base-Backbone interact. energy: -0.668 local terms energy: -728.121032 where: bonds (distance) C4'-P energy: -123.140 bonds (distance) P-C4' energy: -126.953 flat angles C4'-P-C4' energy: -146.014 flat angles P-C4'-P energy: -107.617 tors. eta vs tors. theta energy: -224.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2358.745248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.745248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.745248 (E_RNA) where: Base-Base interactions energy: -1692.019 where: short stacking energy: -684.472 Base-Backbone interact. energy: 0.674 local terms energy: -667.400887 where: bonds (distance) C4'-P energy: -113.869 bonds (distance) P-C4' energy: -120.182 flat angles C4'-P-C4' energy: -150.296 flat angles P-C4'-P energy: -92.948 tors. eta vs tors. theta energy: -190.106 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: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2320.373979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.373979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.373979 (E_RNA) where: Base-Base interactions energy: -1653.749 where: short stacking energy: -681.950 Base-Backbone interact. energy: -1.985 local terms energy: -664.640514 where: bonds (distance) C4'-P energy: -99.195 bonds (distance) P-C4' energy: -102.683 flat angles C4'-P-C4' energy: -155.331 flat angles P-C4'-P energy: -97.371 tors. eta vs tors. theta energy: -210.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1976.458081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.458081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.458081 (E_RNA) where: Base-Base interactions energy: -1383.082 where: short stacking energy: -568.491 Base-Backbone interact. energy: 1.571 local terms energy: -594.947320 where: bonds (distance) C4'-P energy: -119.189 bonds (distance) P-C4' energy: -115.119 flat angles C4'-P-C4' energy: -119.290 flat angles P-C4'-P energy: -80.828 tors. eta vs tors. theta energy: -160.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1899.054661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.054661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.054661 (E_RNA) where: Base-Base interactions energy: -1321.598 where: short stacking energy: -537.733 Base-Backbone interact. energy: -3.244 local terms energy: -574.212854 where: bonds (distance) C4'-P energy: -101.578 bonds (distance) P-C4' energy: -121.761 flat angles C4'-P-C4' energy: -127.426 flat angles P-C4'-P energy: -93.004 tors. eta vs tors. theta energy: -130.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1447.705507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.705507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.705507 (E_RNA) where: Base-Base interactions energy: -975.531 where: short stacking energy: -450.261 Base-Backbone interact. energy: -2.027 local terms energy: -470.146868 where: bonds (distance) C4'-P energy: -102.625 bonds (distance) P-C4' energy: -125.906 flat angles C4'-P-C4' energy: -100.054 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -90.305 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: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -901.186216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.186216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.186216 (E_RNA) where: Base-Base interactions energy: -511.016 where: short stacking energy: -247.781 Base-Backbone interact. energy: -0.936 local terms energy: -389.234385 where: bonds (distance) C4'-P energy: -92.913 bonds (distance) P-C4' energy: -122.900 flat angles C4'-P-C4' energy: -94.858 flat angles P-C4'-P energy: -68.625 tors. eta vs tors. theta energy: -9.939 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: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2671.186836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.186836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.186836 (E_RNA) where: Base-Base interactions energy: -1907.678 where: short stacking energy: -757.702 Base-Backbone interact. energy: 0.539 local terms energy: -764.047444 where: bonds (distance) C4'-P energy: -129.285 bonds (distance) P-C4' energy: -129.836 flat angles C4'-P-C4' energy: -163.768 flat angles P-C4'-P energy: -109.850 tors. eta vs tors. theta energy: -231.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2614.838147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.838147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.838147 (E_RNA) where: Base-Base interactions energy: -1879.270 where: short stacking energy: -776.283 Base-Backbone interact. energy: -2.411 local terms energy: -733.157212 where: bonds (distance) C4'-P energy: -121.138 bonds (distance) P-C4' energy: -131.815 flat angles C4'-P-C4' energy: -155.279 flat angles P-C4'-P energy: -98.961 tors. eta vs tors. theta energy: -225.963 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2522.794852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.794852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.794852 (E_RNA) where: Base-Base interactions energy: -1840.249 where: short stacking energy: -766.375 Base-Backbone interact. energy: -1.434 local terms energy: -681.112402 where: bonds (distance) C4'-P energy: -107.374 bonds (distance) P-C4' energy: -111.710 flat angles C4'-P-C4' energy: -150.691 flat angles P-C4'-P energy: -91.077 tors. eta vs tors. theta energy: -220.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2458.931416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.931416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.931416 (E_RNA) where: Base-Base interactions energy: -1755.649 where: short stacking energy: -721.108 Base-Backbone interact. energy: 1.873 local terms energy: -705.155185 where: bonds (distance) C4'-P energy: -112.588 bonds (distance) P-C4' energy: -113.444 flat angles C4'-P-C4' energy: -152.147 flat angles P-C4'-P energy: -98.442 tors. eta vs tors. theta energy: -228.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2375.472873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.472873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.472873 (E_RNA) where: Base-Base interactions energy: -1682.750 where: short stacking energy: -676.156 Base-Backbone interact. energy: -2.101 local terms energy: -690.621596 where: bonds (distance) C4'-P energy: -116.736 bonds (distance) P-C4' energy: -129.765 flat angles C4'-P-C4' energy: -151.057 flat angles P-C4'-P energy: -88.313 tors. eta vs tors. theta energy: -204.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2358.252061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.252061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.252061 (E_RNA) where: Base-Base interactions energy: -1687.700 where: short stacking energy: -674.052 Base-Backbone interact. energy: -1.690 local terms energy: -668.861873 where: bonds (distance) C4'-P energy: -111.002 bonds (distance) P-C4' energy: -119.938 flat angles C4'-P-C4' energy: -130.377 flat angles P-C4'-P energy: -102.748 tors. eta vs tors. theta energy: -204.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1947.047716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.047716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.047716 (E_RNA) where: Base-Base interactions energy: -1352.025 where: short stacking energy: -576.650 Base-Backbone interact. energy: -0.780 local terms energy: -594.242526 where: bonds (distance) C4'-P energy: -119.462 bonds (distance) P-C4' energy: -108.531 flat angles C4'-P-C4' energy: -130.865 flat angles P-C4'-P energy: -74.941 tors. eta vs tors. theta energy: -160.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1838.699195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.699195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.699195 (E_RNA) where: Base-Base interactions energy: -1284.893 where: short stacking energy: -543.660 Base-Backbone interact. energy: 2.015 local terms energy: -555.821215 where: bonds (distance) C4'-P energy: -110.143 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -119.437 flat angles P-C4'-P energy: -78.341 tors. eta vs tors. theta energy: -148.688 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: 196 Temperature: 1.300000 Total energy: -1314.769997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.769997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.769997 (E_RNA) where: Base-Base interactions energy: -844.201 where: short stacking energy: -370.155 Base-Backbone interact. energy: 5.368 local terms energy: -475.937662 where: bonds (distance) C4'-P energy: -114.124 bonds (distance) P-C4' energy: -106.877 flat angles C4'-P-C4' energy: -110.234 flat angles P-C4'-P energy: -69.233 tors. eta vs tors. theta energy: -75.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -875.109346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.109346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.109346 (E_RNA) where: Base-Base interactions energy: -509.837 where: short stacking energy: -240.635 Base-Backbone interact. energy: 2.513 local terms energy: -367.785019 where: bonds (distance) C4'-P energy: -111.526 bonds (distance) P-C4' energy: -102.780 flat angles C4'-P-C4' energy: -102.351 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2653.612773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.612773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.612773 (E_RNA) where: Base-Base interactions energy: -1887.234 where: short stacking energy: -744.682 Base-Backbone interact. energy: -0.418 local terms energy: -765.960761 where: bonds (distance) C4'-P energy: -128.976 bonds (distance) P-C4' energy: -144.818 flat angles C4'-P-C4' energy: -157.182 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -228.198 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: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2589.456305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.456305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.456305 (E_RNA) where: Base-Base interactions energy: -1852.021 where: short stacking energy: -733.426 Base-Backbone interact. energy: -2.152 local terms energy: -735.283296 where: bonds (distance) C4'-P energy: -125.236 bonds (distance) P-C4' energy: -121.684 flat angles C4'-P-C4' energy: -149.410 flat angles P-C4'-P energy: -114.757 tors. eta vs tors. theta energy: -224.196 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: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2515.060833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.060833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.060833 (E_RNA) where: Base-Base interactions energy: -1787.335 where: short stacking energy: -724.598 Base-Backbone interact. energy: 0.993 local terms energy: -728.718308 where: bonds (distance) C4'-P energy: -125.105 bonds (distance) P-C4' energy: -120.678 flat angles C4'-P-C4' energy: -152.190 flat angles P-C4'-P energy: -104.336 tors. eta vs tors. theta energy: -226.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2442.273312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.273312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.273312 (E_RNA) where: Base-Base interactions energy: -1715.448 where: short stacking energy: -695.272 Base-Backbone interact. energy: -3.243 local terms energy: -723.581612 where: bonds (distance) C4'-P energy: -119.971 bonds (distance) P-C4' energy: -129.923 flat angles C4'-P-C4' energy: -146.868 flat angles P-C4'-P energy: -101.207 tors. eta vs tors. theta energy: -225.613 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: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2394.482538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.482538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.482538 (E_RNA) where: Base-Base interactions energy: -1683.035 where: short stacking energy: -705.165 Base-Backbone interact. energy: -1.073 local terms energy: -710.375452 where: bonds (distance) C4'-P energy: -118.624 bonds (distance) P-C4' energy: -123.832 flat angles C4'-P-C4' energy: -149.383 flat angles P-C4'-P energy: -97.519 tors. eta vs tors. theta energy: -221.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2332.791039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.791039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.791039 (E_RNA) where: Base-Base interactions energy: -1651.020 where: short stacking energy: -655.266 Base-Backbone interact. energy: -3.378 local terms energy: -678.393271 where: bonds (distance) C4'-P energy: -109.387 bonds (distance) P-C4' energy: -111.861 flat angles C4'-P-C4' energy: -144.080 flat angles P-C4'-P energy: -104.647 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: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2022.242347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.242347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.242347 (E_RNA) where: Base-Base interactions energy: -1428.358 where: short stacking energy: -584.436 Base-Backbone interact. energy: -3.924 local terms energy: -589.960637 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -106.354 flat angles C4'-P-C4' energy: -125.608 flat angles P-C4'-P energy: -85.706 tors. eta vs tors. theta energy: -156.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1926.286238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.286238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.286238 (E_RNA) where: Base-Base interactions energy: -1348.047 where: short stacking energy: -565.681 Base-Backbone interact. energy: -1.446 local terms energy: -576.793129 where: bonds (distance) C4'-P energy: -117.554 bonds (distance) P-C4' energy: -96.283 flat angles C4'-P-C4' energy: -119.543 flat angles P-C4'-P energy: -78.568 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: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1283.358369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.358369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.358369 (E_RNA) where: Base-Base interactions energy: -835.822 where: short stacking energy: -362.411 Base-Backbone interact. energy: -1.930 local terms energy: -445.606466 where: bonds (distance) C4'-P energy: -84.969 bonds (distance) P-C4' energy: -112.009 flat angles C4'-P-C4' energy: -95.987 flat angles P-C4'-P energy: -75.307 tors. eta vs tors. theta energy: -77.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -964.723980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.723980 (E_RNA) where: Base-Base interactions energy: -564.115 where: short stacking energy: -285.464 Base-Backbone interact. energy: -1.470 local terms energy: -399.138414 where: bonds (distance) C4'-P energy: -106.285 bonds (distance) P-C4' energy: -88.269 flat angles C4'-P-C4' energy: -101.447 flat angles P-C4'-P energy: -76.778 tors. eta vs tors. theta energy: -26.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2685.562402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.562402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.562402 (E_RNA) where: Base-Base interactions energy: -1900.931 where: short stacking energy: -743.046 Base-Backbone interact. energy: -2.957 local terms energy: -781.674519 where: bonds (distance) C4'-P energy: -139.311 bonds (distance) P-C4' energy: -156.017 flat angles C4'-P-C4' energy: -155.156 flat angles P-C4'-P energy: -111.608 tors. eta vs tors. theta energy: -219.583 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: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2575.908291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.908291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.908291 (E_RNA) where: Base-Base interactions energy: -1845.345 where: short stacking energy: -747.365 Base-Backbone interact. energy: 0.217 local terms energy: -730.781010 where: bonds (distance) C4'-P energy: -119.628 bonds (distance) P-C4' energy: -126.351 flat angles C4'-P-C4' energy: -148.708 flat angles P-C4'-P energy: -111.525 tors. eta vs tors. theta energy: -224.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2517.303004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.303004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.303004 (E_RNA) where: Base-Base interactions energy: -1775.471 where: short stacking energy: -729.187 Base-Backbone interact. energy: -1.191 local terms energy: -740.641051 where: bonds (distance) C4'-P energy: -122.606 bonds (distance) P-C4' energy: -121.748 flat angles C4'-P-C4' energy: -165.801 flat angles P-C4'-P energy: -104.434 tors. eta vs tors. theta energy: -226.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2451.499167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.499167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.499167 (E_RNA) where: Base-Base interactions energy: -1750.772 where: short stacking energy: -709.280 Base-Backbone interact. energy: 5.317 local terms energy: -706.043889 where: bonds (distance) C4'-P energy: -120.767 bonds (distance) P-C4' energy: -129.459 flat angles C4'-P-C4' energy: -139.279 flat angles P-C4'-P energy: -89.113 tors. eta vs tors. theta energy: -227.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2315.799246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.799246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.799246 (E_RNA) where: Base-Base interactions energy: -1648.228 where: short stacking energy: -700.255 Base-Backbone interact. energy: -1.069 local terms energy: -666.501886 where: bonds (distance) C4'-P energy: -110.917 bonds (distance) P-C4' energy: -118.322 flat angles C4'-P-C4' energy: -144.270 flat angles P-C4'-P energy: -90.413 tors. eta vs tors. theta energy: -202.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2333.751165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.751165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.751165 (E_RNA) where: Base-Base interactions energy: -1663.069 where: short stacking energy: -670.441 Base-Backbone interact. energy: 1.236 local terms energy: -671.917623 where: bonds (distance) C4'-P energy: -115.987 bonds (distance) P-C4' energy: -110.106 flat angles C4'-P-C4' energy: -139.516 flat angles P-C4'-P energy: -103.486 tors. eta vs tors. theta energy: -202.823 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: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2026.195746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.195746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.195746 (E_RNA) where: Base-Base interactions energy: -1435.858 where: short stacking energy: -597.518 Base-Backbone interact. energy: 0.710 local terms energy: -591.047819 where: bonds (distance) C4'-P energy: -97.024 bonds (distance) P-C4' energy: -99.703 flat angles C4'-P-C4' energy: -131.868 flat angles P-C4'-P energy: -93.756 tors. eta vs tors. theta energy: -168.697 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: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1822.235077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.235077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.235077 (E_RNA) where: Base-Base interactions energy: -1278.133 where: short stacking energy: -535.632 Base-Backbone interact. energy: 2.421 local terms energy: -546.523508 where: bonds (distance) C4'-P energy: -87.941 bonds (distance) P-C4' energy: -117.630 flat angles C4'-P-C4' energy: -129.538 flat angles P-C4'-P energy: -73.572 tors. eta vs tors. theta energy: -137.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1276.450314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.450314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.450314 (E_RNA) where: Base-Base interactions energy: -828.329 where: short stacking energy: -367.729 Base-Backbone interact. energy: -0.946 local terms energy: -447.175650 where: bonds (distance) C4'-P energy: -90.194 bonds (distance) P-C4' energy: -115.497 flat angles C4'-P-C4' energy: -108.613 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -69.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -854.635395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.635395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.635395 (E_RNA) where: Base-Base interactions energy: -481.524 where: short stacking energy: -229.308 Base-Backbone interact. energy: 5.834 local terms energy: -378.945615 where: bonds (distance) C4'-P energy: -112.477 bonds (distance) P-C4' energy: -109.457 flat angles C4'-P-C4' energy: -84.512 flat angles P-C4'-P energy: -65.463 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2683.108572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.108572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.108572 (E_RNA) where: Base-Base interactions energy: -1908.743 where: short stacking energy: -747.399 Base-Backbone interact. energy: -1.426 local terms energy: -772.939154 where: bonds (distance) C4'-P energy: -135.019 bonds (distance) P-C4' energy: -140.697 flat angles C4'-P-C4' energy: -154.653 flat angles P-C4'-P energy: -115.600 tors. eta vs tors. theta energy: -226.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2555.577984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.577984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.577984 (E_RNA) where: Base-Base interactions energy: -1791.489 where: short stacking energy: -755.096 Base-Backbone interact. energy: -0.097 local terms energy: -763.991752 where: bonds (distance) C4'-P energy: -129.598 bonds (distance) P-C4' energy: -136.768 flat angles C4'-P-C4' energy: -160.820 flat angles P-C4'-P energy: -106.328 tors. eta vs tors. theta energy: -230.478 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: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2503.817026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.817026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.817026 (E_RNA) where: Base-Base interactions energy: -1788.543 where: short stacking energy: -713.519 Base-Backbone interact. energy: -1.102 local terms energy: -714.171755 where: bonds (distance) C4'-P energy: -120.775 bonds (distance) P-C4' energy: -129.227 flat angles C4'-P-C4' energy: -151.459 flat angles P-C4'-P energy: -98.092 tors. eta vs tors. theta energy: -214.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2494.815414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.815414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.815414 (E_RNA) where: Base-Base interactions energy: -1762.078 where: short stacking energy: -732.654 Base-Backbone interact. energy: 2.713 local terms energy: -735.450546 where: bonds (distance) C4'-P energy: -120.397 bonds (distance) P-C4' energy: -132.418 flat angles C4'-P-C4' energy: -159.234 flat angles P-C4'-P energy: -90.416 tors. eta vs tors. theta energy: -232.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2339.931841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.931841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.931841 (E_RNA) where: Base-Base interactions energy: -1680.539 where: short stacking energy: -669.989 Base-Backbone interact. energy: -2.181 local terms energy: -657.212026 where: bonds (distance) C4'-P energy: -110.288 bonds (distance) P-C4' energy: -105.127 flat angles C4'-P-C4' energy: -142.458 flat angles P-C4'-P energy: -91.788 tors. eta vs tors. theta energy: -207.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2339.745321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.745321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.745321 (E_RNA) where: Base-Base interactions energy: -1688.499 where: short stacking energy: -691.456 Base-Backbone interact. energy: -2.824 local terms energy: -648.423140 where: bonds (distance) C4'-P energy: -122.753 bonds (distance) P-C4' energy: -104.598 flat angles C4'-P-C4' energy: -123.275 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -206.264 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: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2006.791251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.791251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.791251 (E_RNA) where: Base-Base interactions energy: -1438.612 where: short stacking energy: -600.480 Base-Backbone interact. energy: 2.431 local terms energy: -570.610318 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -102.584 flat angles C4'-P-C4' energy: -113.487 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -166.486 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: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1927.795526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.795526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.795526 (E_RNA) where: Base-Base interactions energy: -1358.166 where: short stacking energy: -550.187 Base-Backbone interact. energy: -1.455 local terms energy: -568.174005 where: bonds (distance) C4'-P energy: -90.140 bonds (distance) P-C4' energy: -102.693 flat angles C4'-P-C4' energy: -131.332 flat angles P-C4'-P energy: -82.043 tors. eta vs tors. theta energy: -161.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1265.891371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.891371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.891371 (E_RNA) where: Base-Base interactions energy: -766.111 where: short stacking energy: -346.940 Base-Backbone interact. energy: -1.919 local terms energy: -497.860745 where: bonds (distance) C4'-P energy: -112.818 bonds (distance) P-C4' energy: -122.514 flat angles C4'-P-C4' energy: -108.046 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -61.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -848.475731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.475731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.475731 (E_RNA) where: Base-Base interactions energy: -454.600 where: short stacking energy: -229.716 Base-Backbone interact. energy: 7.192 local terms energy: -401.067406 where: bonds (distance) C4'-P energy: -130.076 bonds (distance) P-C4' energy: -103.211 flat angles C4'-P-C4' energy: -118.652 flat angles P-C4'-P energy: -44.139 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2666.741682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.741682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.741682 (E_RNA) where: Base-Base interactions energy: -1895.248 where: short stacking energy: -767.213 Base-Backbone interact. energy: -0.912 local terms energy: -770.580861 where: bonds (distance) C4'-P energy: -154.046 bonds (distance) P-C4' energy: -132.956 flat angles C4'-P-C4' energy: -157.830 flat angles P-C4'-P energy: -101.322 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: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2576.579306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.579306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.579306 (E_RNA) where: Base-Base interactions energy: -1834.899 where: short stacking energy: -739.576 Base-Backbone interact. energy: -4.168 local terms energy: -737.511974 where: bonds (distance) C4'-P energy: -129.309 bonds (distance) P-C4' energy: -139.923 flat angles C4'-P-C4' energy: -150.831 flat angles P-C4'-P energy: -106.217 tors. eta vs tors. theta energy: -211.231 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: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2510.405975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.405975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.405975 (E_RNA) where: Base-Base interactions energy: -1743.963 where: short stacking energy: -721.393 Base-Backbone interact. energy: -0.146 local terms energy: -766.296864 where: bonds (distance) C4'-P energy: -138.363 bonds (distance) P-C4' energy: -151.301 flat angles C4'-P-C4' energy: -153.700 flat angles P-C4'-P energy: -100.681 tors. eta vs tors. theta energy: -222.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2465.806976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.806976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.806976 (E_RNA) where: Base-Base interactions energy: -1774.239 where: short stacking energy: -709.850 Base-Backbone interact. energy: -0.657 local terms energy: -690.910263 where: bonds (distance) C4'-P energy: -109.415 bonds (distance) P-C4' energy: -123.264 flat angles C4'-P-C4' energy: -152.749 flat angles P-C4'-P energy: -95.033 tors. eta vs tors. theta energy: -210.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2364.750620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.750620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.750620 (E_RNA) where: Base-Base interactions energy: -1695.892 where: short stacking energy: -684.789 Base-Backbone interact. energy: 0.697 local terms energy: -669.555709 where: bonds (distance) C4'-P energy: -124.558 bonds (distance) P-C4' energy: -133.106 flat angles C4'-P-C4' energy: -136.297 flat angles P-C4'-P energy: -79.861 tors. eta vs tors. theta energy: -195.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2324.519042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.519042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.519042 (E_RNA) where: Base-Base interactions energy: -1635.125 where: short stacking energy: -680.796 Base-Backbone interact. energy: -2.539 local terms energy: -686.855732 where: bonds (distance) C4'-P energy: -112.861 bonds (distance) P-C4' energy: -123.274 flat angles C4'-P-C4' energy: -148.682 flat angles P-C4'-P energy: -95.950 tors. eta vs tors. theta energy: -206.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2025.535279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.535279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.535279 (E_RNA) where: Base-Base interactions energy: -1417.262 where: short stacking energy: -591.380 Base-Backbone interact. energy: 2.322 local terms energy: -610.595940 where: bonds (distance) C4'-P energy: -104.281 bonds (distance) P-C4' energy: -109.228 flat angles C4'-P-C4' energy: -129.032 flat angles P-C4'-P energy: -98.124 tors. eta vs tors. theta energy: -169.930 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: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1958.418707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.418707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.418707 (E_RNA) where: Base-Base interactions energy: -1357.489 where: short stacking energy: -556.699 Base-Backbone interact. energy: -1.728 local terms energy: -599.201117 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -125.316 flat angles C4'-P-C4' energy: -123.716 flat angles P-C4'-P energy: -84.455 tors. eta vs tors. theta energy: -151.270 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: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1310.596781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.596781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.596781 (E_RNA) where: Base-Base interactions energy: -823.899 where: short stacking energy: -357.812 Base-Backbone interact. energy: -0.998 local terms energy: -485.699762 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -114.882 flat angles C4'-P-C4' energy: -127.741 flat angles P-C4'-P energy: -60.377 tors. eta vs tors. theta energy: -72.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -846.132904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.132904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.132904 (E_RNA) where: Base-Base interactions energy: -470.795 where: short stacking energy: -249.885 Base-Backbone interact. energy: -1.150 local terms energy: -374.188263 where: bonds (distance) C4'-P energy: -105.628 bonds (distance) P-C4' energy: -116.900 flat angles C4'-P-C4' energy: -94.833 flat angles P-C4'-P energy: -48.109 tors. eta vs tors. theta energy: -8.718 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: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2670.586241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.586241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.586241 (E_RNA) where: Base-Base interactions energy: -1899.524 where: short stacking energy: -737.808 Base-Backbone interact. energy: -2.319 local terms energy: -768.743150 where: bonds (distance) C4'-P energy: -141.494 bonds (distance) P-C4' energy: -139.032 flat angles C4'-P-C4' energy: -156.378 flat angles P-C4'-P energy: -105.518 tors. eta vs tors. theta energy: -226.322 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: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2586.538218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.538218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.538218 (E_RNA) where: Base-Base interactions energy: -1844.338 where: short stacking energy: -750.998 Base-Backbone interact. energy: -2.775 local terms energy: -739.425174 where: bonds (distance) C4'-P energy: -123.164 bonds (distance) P-C4' energy: -125.938 flat angles C4'-P-C4' energy: -162.295 flat angles P-C4'-P energy: -98.117 tors. eta vs tors. theta energy: -229.912 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: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2494.889597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.889597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.889597 (E_RNA) where: Base-Base interactions energy: -1752.787 where: short stacking energy: -718.726 Base-Backbone interact. energy: -2.519 local terms energy: -739.583837 where: bonds (distance) C4'-P energy: -123.414 bonds (distance) P-C4' energy: -131.644 flat angles C4'-P-C4' energy: -150.719 flat angles P-C4'-P energy: -107.906 tors. eta vs tors. theta energy: -225.900 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: 201 Temperature: 1.050000 Total energy: -2470.011110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.011110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.011110 (E_RNA) where: Base-Base interactions energy: -1756.681 where: short stacking energy: -692.357 Base-Backbone interact. energy: -0.817 local terms energy: -712.512499 where: bonds (distance) C4'-P energy: -123.071 bonds (distance) P-C4' energy: -127.887 flat angles C4'-P-C4' energy: -139.718 flat angles P-C4'-P energy: -104.376 tors. eta vs tors. theta energy: -217.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2363.317162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.317162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.317162 (E_RNA) where: Base-Base interactions energy: -1702.130 where: short stacking energy: -701.533 Base-Backbone interact. energy: 1.055 local terms energy: -662.242291 where: bonds (distance) C4'-P energy: -130.082 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -131.410 flat angles P-C4'-P energy: -106.490 tors. eta vs tors. theta energy: -201.842 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: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2303.597123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.597123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.597123 (E_RNA) where: Base-Base interactions energy: -1653.862 where: short stacking energy: -701.264 Base-Backbone interact. energy: -2.814 local terms energy: -646.920976 where: bonds (distance) C4'-P energy: -107.765 bonds (distance) P-C4' energy: -104.521 flat angles C4'-P-C4' energy: -145.217 flat angles P-C4'-P energy: -86.754 tors. eta vs tors. theta energy: -202.663 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: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -2075.208423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.208423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.208423 (E_RNA) where: Base-Base interactions energy: -1443.400 where: short stacking energy: -617.009 Base-Backbone interact. energy: -3.512 local terms energy: -628.296358 where: bonds (distance) C4'-P energy: -116.252 bonds (distance) P-C4' energy: -110.242 flat angles C4'-P-C4' energy: -139.062 flat angles P-C4'-P energy: -81.931 tors. eta vs tors. theta energy: -180.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1898.265332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.265332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.265332 (E_RNA) where: Base-Base interactions energy: -1324.681 where: short stacking energy: -562.925 Base-Backbone interact. energy: 0.738 local terms energy: -574.322367 where: bonds (distance) C4'-P energy: -88.176 bonds (distance) P-C4' energy: -106.007 flat angles C4'-P-C4' energy: -132.434 flat angles P-C4'-P energy: -90.951 tors. eta vs tors. theta energy: -156.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1226.971034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.971034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.971034 (E_RNA) where: Base-Base interactions energy: -763.789 where: short stacking energy: -377.262 Base-Backbone interact. energy: -2.355 local terms energy: -460.826900 where: bonds (distance) C4'-P energy: -103.570 bonds (distance) P-C4' energy: -93.844 flat angles C4'-P-C4' energy: -116.279 flat angles P-C4'-P energy: -67.549 tors. eta vs tors. theta energy: -79.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -904.092027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.092027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.092027 (E_RNA) where: Base-Base interactions energy: -499.773 where: short stacking energy: -230.838 Base-Backbone interact. energy: -0.185 local terms energy: -404.134119 where: bonds (distance) C4'-P energy: -111.297 bonds (distance) P-C4' energy: -103.973 flat angles C4'-P-C4' energy: -94.849 flat angles P-C4'-P energy: -68.109 tors. eta vs tors. theta energy: -25.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2641.482883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.482883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.482883 (E_RNA) where: Base-Base interactions energy: -1880.700 where: short stacking energy: -771.823 Base-Backbone interact. energy: -1.190 local terms energy: -759.592517 where: bonds (distance) C4'-P energy: -148.089 bonds (distance) P-C4' energy: -128.834 flat angles C4'-P-C4' energy: -154.198 flat angles P-C4'-P energy: -100.940 tors. eta vs tors. theta energy: -227.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2627.925900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.925900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.925900 (E_RNA) where: Base-Base interactions energy: -1880.604 where: short stacking energy: -730.862 Base-Backbone interact. energy: -2.780 local terms energy: -744.541250 where: bonds (distance) C4'-P energy: -132.190 bonds (distance) P-C4' energy: -120.682 flat angles C4'-P-C4' energy: -159.460 flat angles P-C4'-P energy: -102.630 tors. eta vs tors. theta energy: -229.578 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: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2493.271466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.271466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.271466 (E_RNA) where: Base-Base interactions energy: -1767.932 where: short stacking energy: -723.070 Base-Backbone interact. energy: 0.192 local terms energy: -725.531509 where: bonds (distance) C4'-P energy: -120.391 bonds (distance) P-C4' energy: -131.245 flat angles C4'-P-C4' energy: -155.395 flat angles P-C4'-P energy: -98.724 tors. eta vs tors. theta energy: -219.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2461.262294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.262294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.262294 (E_RNA) where: Base-Base interactions energy: -1779.975 where: short stacking energy: -695.927 Base-Backbone interact. energy: 1.230 local terms energy: -682.517548 where: bonds (distance) C4'-P energy: -112.793 bonds (distance) P-C4' energy: -123.058 flat angles C4'-P-C4' energy: -148.120 flat angles P-C4'-P energy: -91.693 tors. eta vs tors. theta energy: -206.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2353.677262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.677262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.677262 (E_RNA) where: Base-Base interactions energy: -1667.921 where: short stacking energy: -677.396 Base-Backbone interact. energy: -1.729 local terms energy: -684.027457 where: bonds (distance) C4'-P energy: -112.011 bonds (distance) P-C4' energy: -127.996 flat angles C4'-P-C4' energy: -131.995 flat angles P-C4'-P energy: -112.632 tors. eta vs tors. theta energy: -199.394 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: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2264.623870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.623870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.623870 (E_RNA) where: Base-Base interactions energy: -1594.613 where: short stacking energy: -660.028 Base-Backbone interact. energy: 0.056 local terms energy: -670.066892 where: bonds (distance) C4'-P energy: -112.586 bonds (distance) P-C4' energy: -118.788 flat angles C4'-P-C4' energy: -145.478 flat angles P-C4'-P energy: -95.833 tors. eta vs tors. theta energy: -197.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2073.863771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.863771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.863771 (E_RNA) where: Base-Base interactions energy: -1457.548 where: short stacking energy: -620.038 Base-Backbone interact. energy: 0.486 local terms energy: -616.801659 where: bonds (distance) C4'-P energy: -103.899 bonds (distance) P-C4' energy: -115.954 flat angles C4'-P-C4' energy: -139.798 flat angles P-C4'-P energy: -90.611 tors. eta vs tors. theta energy: -166.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1813.616513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.616513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.616513 (E_RNA) where: Base-Base interactions energy: -1260.559 where: short stacking energy: -545.534 Base-Backbone interact. energy: -1.270 local terms energy: -551.788267 where: bonds (distance) C4'-P energy: -85.557 bonds (distance) P-C4' energy: -114.606 flat angles C4'-P-C4' energy: -127.065 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -150.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1295.061889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.061889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.061889 (E_RNA) where: Base-Base interactions energy: -852.265 where: short stacking energy: -391.948 Base-Backbone interact. energy: -1.568 local terms energy: -441.228782 where: bonds (distance) C4'-P energy: -89.129 bonds (distance) P-C4' energy: -122.307 flat angles C4'-P-C4' energy: -110.878 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -66.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -954.150763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.150763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.150763 (E_RNA) where: Base-Base interactions energy: -561.638 where: short stacking energy: -290.577 Base-Backbone interact. energy: -0.450 local terms energy: -392.062584 where: bonds (distance) C4'-P energy: -110.789 bonds (distance) P-C4' energy: -98.003 flat angles C4'-P-C4' energy: -112.678 flat angles P-C4'-P energy: -35.322 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: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2645.641145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.641145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.641145 (E_RNA) where: Base-Base interactions energy: -1881.051 where: short stacking energy: -759.865 Base-Backbone interact. energy: -2.105 local terms energy: -762.484679 where: bonds (distance) C4'-P energy: -145.831 bonds (distance) P-C4' energy: -134.588 flat angles C4'-P-C4' energy: -145.071 flat angles P-C4'-P energy: -107.757 tors. eta vs tors. theta energy: -229.238 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: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2628.869741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.869741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.869741 (E_RNA) where: Base-Base interactions energy: -1869.373 where: short stacking energy: -728.699 Base-Backbone interact. energy: -3.405 local terms energy: -756.091876 where: bonds (distance) C4'-P energy: -133.620 bonds (distance) P-C4' energy: -131.278 flat angles C4'-P-C4' energy: -159.566 flat angles P-C4'-P energy: -107.410 tors. eta vs tors. theta energy: -224.217 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: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2514.471183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.471183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.471183 (E_RNA) where: Base-Base interactions energy: -1764.216 where: short stacking energy: -735.266 Base-Backbone interact. energy: -0.699 local terms energy: -749.555761 where: bonds (distance) C4'-P energy: -140.629 bonds (distance) P-C4' energy: -129.417 flat angles C4'-P-C4' energy: -157.518 flat angles P-C4'-P energy: -92.991 tors. eta vs tors. theta energy: -229.000 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: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2466.879133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.879133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.879133 (E_RNA) where: Base-Base interactions energy: -1759.188 where: short stacking energy: -714.152 Base-Backbone interact. energy: -1.029 local terms energy: -706.662472 where: bonds (distance) C4'-P energy: -108.217 bonds (distance) P-C4' energy: -129.484 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -109.566 tors. eta vs tors. theta energy: -220.507 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: 203 Temperature: 1.100000 Total energy: -2357.750123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.750123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.750123 (E_RNA) where: Base-Base interactions energy: -1680.821 where: short stacking energy: -692.126 Base-Backbone interact. energy: 1.069 local terms energy: -677.997857 where: bonds (distance) C4'-P energy: -106.794 bonds (distance) P-C4' energy: -120.109 flat angles C4'-P-C4' energy: -143.315 flat angles P-C4'-P energy: -98.809 tors. eta vs tors. theta energy: -208.970 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: 203 Temperature: 1.150000 Total energy: -2251.033646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.033646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.033646 (E_RNA) where: Base-Base interactions energy: -1576.539 where: short stacking energy: -663.112 Base-Backbone interact. energy: -1.964 local terms energy: -672.530681 where: bonds (distance) C4'-P energy: -110.025 bonds (distance) P-C4' energy: -135.918 flat angles C4'-P-C4' energy: -142.174 flat angles P-C4'-P energy: -88.192 tors. eta vs tors. theta energy: -196.222 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: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -2044.141914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.141914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.141914 (E_RNA) where: Base-Base interactions energy: -1439.977 where: short stacking energy: -596.110 Base-Backbone interact. energy: -0.645 local terms energy: -603.519881 where: bonds (distance) C4'-P energy: -104.801 bonds (distance) P-C4' energy: -103.017 flat angles C4'-P-C4' energy: -132.335 flat angles P-C4'-P energy: -89.453 tors. eta vs tors. theta energy: -173.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1865.364312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.364312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.364312 (E_RNA) where: Base-Base interactions energy: -1330.671 where: short stacking energy: -529.055 Base-Backbone interact. energy: -1.638 local terms energy: -533.055270 where: bonds (distance) C4'-P energy: -87.790 bonds (distance) P-C4' energy: -104.555 flat angles C4'-P-C4' energy: -117.894 flat angles P-C4'-P energy: -83.130 tors. eta vs tors. theta energy: -139.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1322.793807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.793807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.793807 (E_RNA) where: Base-Base interactions energy: -860.709 where: short stacking energy: -382.073 Base-Backbone interact. energy: -0.894 local terms energy: -461.191348 where: bonds (distance) C4'-P energy: -96.246 bonds (distance) P-C4' energy: -109.714 flat angles C4'-P-C4' energy: -113.301 flat angles P-C4'-P energy: -75.133 tors. eta vs tors. theta energy: -66.797 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: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -900.197396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.197396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.197396 (E_RNA) where: Base-Base interactions energy: -488.484 where: short stacking energy: -255.587 Base-Backbone interact. energy: 1.053 local terms energy: -412.766602 where: bonds (distance) C4'-P energy: -119.128 bonds (distance) P-C4' energy: -122.816 flat angles C4'-P-C4' energy: -103.576 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -21.969 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: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2631.688635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.688635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.688635 (E_RNA) where: Base-Base interactions energy: -1864.828 where: short stacking energy: -759.583 Base-Backbone interact. energy: -1.536 local terms energy: -765.324397 where: bonds (distance) C4'-P energy: -148.648 bonds (distance) P-C4' energy: -128.043 flat angles C4'-P-C4' energy: -163.079 flat angles P-C4'-P energy: -107.482 tors. eta vs tors. theta energy: -218.072 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: 204 Temperature: 0.950000 Total energy: -2626.666378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.666378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.666378 (E_RNA) where: Base-Base interactions energy: -1890.335 where: short stacking energy: -751.580 Base-Backbone interact. energy: -1.388 local terms energy: -734.943583 where: bonds (distance) C4'-P energy: -125.070 bonds (distance) P-C4' energy: -119.880 flat angles C4'-P-C4' energy: -153.747 flat angles P-C4'-P energy: -106.493 tors. eta vs tors. theta energy: -229.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2536.483216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.483216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.483216 (E_RNA) where: Base-Base interactions energy: -1817.743 where: short stacking energy: -708.535 Base-Backbone interact. energy: -0.525 local terms energy: -718.215705 where: bonds (distance) C4'-P energy: -129.163 bonds (distance) P-C4' energy: -132.778 flat angles C4'-P-C4' energy: -152.399 flat angles P-C4'-P energy: -85.498 tors. eta vs tors. theta energy: -218.377 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: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2448.226435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.226435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.226435 (E_RNA) where: Base-Base interactions energy: -1721.381 where: short stacking energy: -700.227 Base-Backbone interact. energy: -1.488 local terms energy: -725.357251 where: bonds (distance) C4'-P energy: -131.162 bonds (distance) P-C4' energy: -113.424 flat angles C4'-P-C4' energy: -153.251 flat angles P-C4'-P energy: -98.173 tors. eta vs tors. theta energy: -229.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2360.838219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.838219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.838219 (E_RNA) where: Base-Base interactions energy: -1657.068 where: short stacking energy: -689.492 Base-Backbone interact. energy: -1.831 local terms energy: -701.939016 where: bonds (distance) C4'-P energy: -125.863 bonds (distance) P-C4' energy: -126.983 flat angles C4'-P-C4' energy: -142.415 flat angles P-C4'-P energy: -90.782 tors. eta vs tors. theta energy: -215.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2262.588372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.588372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.588372 (E_RNA) where: Base-Base interactions energy: -1624.233 where: short stacking energy: -671.276 Base-Backbone interact. energy: 1.472 local terms energy: -639.826839 where: bonds (distance) C4'-P energy: -95.279 bonds (distance) P-C4' energy: -111.663 flat angles C4'-P-C4' energy: -152.522 flat angles P-C4'-P energy: -86.503 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: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2083.401581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.401581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.401581 (E_RNA) where: Base-Base interactions energy: -1428.186 where: short stacking energy: -594.887 Base-Backbone interact. energy: -1.956 local terms energy: -653.259957 where: bonds (distance) C4'-P energy: -103.608 bonds (distance) P-C4' energy: -130.439 flat angles C4'-P-C4' energy: -142.267 flat angles P-C4'-P energy: -90.665 tors. eta vs tors. theta energy: -186.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1971.607416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.607416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.607416 (E_RNA) where: Base-Base interactions energy: -1409.060 where: short stacking energy: -561.314 Base-Backbone interact. energy: 0.052 local terms energy: -562.599504 where: bonds (distance) C4'-P energy: -97.700 bonds (distance) P-C4' energy: -95.052 flat angles C4'-P-C4' energy: -141.645 flat angles P-C4'-P energy: -65.177 tors. eta vs tors. theta energy: -163.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1319.080665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.080665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.080665 (E_RNA) where: Base-Base interactions energy: -851.224 where: short stacking energy: -381.371 Base-Backbone interact. energy: -3.053 local terms energy: -464.804231 where: bonds (distance) C4'-P energy: -114.132 bonds (distance) P-C4' energy: -102.448 flat angles C4'-P-C4' energy: -121.240 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: -69.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -892.200754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.200754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.200754 (E_RNA) where: Base-Base interactions energy: -527.634 where: short stacking energy: -258.983 Base-Backbone interact. energy: 2.069 local terms energy: -366.635843 where: bonds (distance) C4'-P energy: -98.215 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -90.579 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -23.633 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: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2620.375314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.375314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.375314 (E_RNA) where: Base-Base interactions energy: -1860.626 where: short stacking energy: -763.058 Base-Backbone interact. energy: -1.906 local terms energy: -757.842546 where: bonds (distance) C4'-P energy: -145.212 bonds (distance) P-C4' energy: -142.565 flat angles C4'-P-C4' energy: -154.456 flat angles P-C4'-P energy: -103.054 tors. eta vs tors. theta energy: -212.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2588.827811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.827811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.827811 (E_RNA) where: Base-Base interactions energy: -1830.777 where: short stacking energy: -750.052 Base-Backbone interact. energy: -3.086 local terms energy: -754.964861 where: bonds (distance) C4'-P energy: -140.518 bonds (distance) P-C4' energy: -122.322 flat angles C4'-P-C4' energy: -153.683 flat angles P-C4'-P energy: -114.193 tors. eta vs tors. theta energy: -224.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2526.578551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.578551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.578551 (E_RNA) where: Base-Base interactions energy: -1810.614 where: short stacking energy: -723.242 Base-Backbone interact. energy: -2.384 local terms energy: -713.580333 where: bonds (distance) C4'-P energy: -114.947 bonds (distance) P-C4' energy: -124.731 flat angles C4'-P-C4' energy: -151.095 flat angles P-C4'-P energy: -102.705 tors. eta vs tors. theta energy: -220.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2463.025501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.025501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.025501 (E_RNA) where: Base-Base interactions energy: -1734.875 where: short stacking energy: -699.932 Base-Backbone interact. energy: 1.172 local terms energy: -729.322551 where: bonds (distance) C4'-P energy: -123.046 bonds (distance) P-C4' energy: -119.237 flat angles C4'-P-C4' energy: -158.301 flat angles P-C4'-P energy: -97.185 tors. eta vs tors. theta energy: -231.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2340.504307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.504307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.504307 (E_RNA) where: Base-Base interactions energy: -1680.363 where: short stacking energy: -675.696 Base-Backbone interact. energy: -0.524 local terms energy: -659.618215 where: bonds (distance) C4'-P energy: -116.945 bonds (distance) P-C4' energy: -116.991 flat angles C4'-P-C4' energy: -136.687 flat angles P-C4'-P energy: -94.459 tors. eta vs tors. theta energy: -194.536 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: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2246.876674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.876674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.876674 (E_RNA) where: Base-Base interactions energy: -1600.644 where: short stacking energy: -645.584 Base-Backbone interact. energy: 0.818 local terms energy: -647.051127 where: bonds (distance) C4'-P energy: -101.620 bonds (distance) P-C4' energy: -109.004 flat angles C4'-P-C4' energy: -147.201 flat angles P-C4'-P energy: -99.354 tors. eta vs tors. theta energy: -189.873 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: 205 Temperature: 1.200000 Total energy: -2047.137396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.137396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.137396 (E_RNA) where: Base-Base interactions energy: -1449.302 where: short stacking energy: -606.643 Base-Backbone interact. energy: 1.065 local terms energy: -598.900525 where: bonds (distance) C4'-P energy: -94.042 bonds (distance) P-C4' energy: -126.804 flat angles C4'-P-C4' energy: -135.780 flat angles P-C4'-P energy: -80.625 tors. eta vs tors. theta energy: -161.649 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: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -2041.621773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.621773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.621773 (E_RNA) where: Base-Base interactions energy: -1429.681 where: short stacking energy: -588.022 Base-Backbone interact. energy: -0.981 local terms energy: -610.960248 where: bonds (distance) C4'-P energy: -113.274 bonds (distance) P-C4' energy: -113.599 flat angles C4'-P-C4' energy: -131.928 flat angles P-C4'-P energy: -85.134 tors. eta vs tors. theta energy: -167.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1307.599567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.599567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.599567 (E_RNA) where: Base-Base interactions energy: -827.913 where: short stacking energy: -400.540 Base-Backbone interact. energy: 0.556 local terms energy: -480.241870 where: bonds (distance) C4'-P energy: -93.305 bonds (distance) P-C4' energy: -113.675 flat angles C4'-P-C4' energy: -122.030 flat angles P-C4'-P energy: -57.125 tors. eta vs tors. theta energy: -94.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -975.088951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.088951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.088951 (E_RNA) where: Base-Base interactions energy: -568.006 where: short stacking energy: -281.575 Base-Backbone interact. energy: 6.571 local terms energy: -413.654788 where: bonds (distance) C4'-P energy: -107.247 bonds (distance) P-C4' energy: -114.121 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -64.928 tors. eta vs tors. theta energy: -29.699 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: 206 Temperature: 0.900000 Total energy: -2684.402466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.402466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.402466 (E_RNA) where: Base-Base interactions energy: -1909.080 where: short stacking energy: -761.306 Base-Backbone interact. energy: -1.095 local terms energy: -774.226582 where: bonds (distance) C4'-P energy: -125.727 bonds (distance) P-C4' energy: -127.315 flat angles C4'-P-C4' energy: -165.421 flat angles P-C4'-P energy: -117.628 tors. eta vs tors. theta energy: -238.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2586.218277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.218277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.218277 (E_RNA) where: Base-Base interactions energy: -1841.941 where: short stacking energy: -766.455 Base-Backbone interact. energy: -0.152 local terms energy: -744.125261 where: bonds (distance) C4'-P energy: -131.463 bonds (distance) P-C4' energy: -129.402 flat angles C4'-P-C4' energy: -161.460 flat angles P-C4'-P energy: -101.585 tors. eta vs tors. theta energy: -220.215 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: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2566.180787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.180787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.180787 (E_RNA) where: Base-Base interactions energy: -1845.505 where: short stacking energy: -725.262 Base-Backbone interact. energy: -0.400 local terms energy: -720.275924 where: bonds (distance) C4'-P energy: -125.959 bonds (distance) P-C4' energy: -124.409 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -101.571 tors. eta vs tors. theta energy: -223.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2442.477991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.477991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.477991 (E_RNA) where: Base-Base interactions energy: -1726.795 where: short stacking energy: -743.976 Base-Backbone interact. energy: -3.376 local terms energy: -712.307148 where: bonds (distance) C4'-P energy: -136.295 bonds (distance) P-C4' energy: -111.593 flat angles C4'-P-C4' energy: -147.027 flat angles P-C4'-P energy: -89.202 tors. eta vs tors. theta energy: -228.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2375.979953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.979953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.979953 (E_RNA) where: Base-Base interactions energy: -1662.495 where: short stacking energy: -688.222 Base-Backbone interact. energy: 1.662 local terms energy: -715.146924 where: bonds (distance) C4'-P energy: -130.369 bonds (distance) P-C4' energy: -138.734 flat angles C4'-P-C4' energy: -136.237 flat angles P-C4'-P energy: -106.409 tors. eta vs tors. theta energy: -203.398 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: 206 Temperature: 1.150000 Total energy: -2213.594693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.594693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.594693 (E_RNA) where: Base-Base interactions energy: -1570.215 where: short stacking energy: -678.537 Base-Backbone interact. energy: 1.825 local terms energy: -645.205165 where: bonds (distance) C4'-P energy: -120.686 bonds (distance) P-C4' energy: -107.426 flat angles C4'-P-C4' energy: -141.343 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -189.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2127.354748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.354748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.354748 (E_RNA) where: Base-Base interactions energy: -1484.618 where: short stacking energy: -595.859 Base-Backbone interact. energy: -1.005 local terms energy: -641.731190 where: bonds (distance) C4'-P energy: -108.308 bonds (distance) P-C4' energy: -125.265 flat angles C4'-P-C4' energy: -144.920 flat angles P-C4'-P energy: -79.116 tors. eta vs tors. theta energy: -184.122 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: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1986.647877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.647877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.647877 (E_RNA) where: Base-Base interactions energy: -1369.999 where: short stacking energy: -555.700 Base-Backbone interact. energy: -0.953 local terms energy: -615.695572 where: bonds (distance) C4'-P energy: -108.162 bonds (distance) P-C4' energy: -106.089 flat angles C4'-P-C4' energy: -143.031 flat angles P-C4'-P energy: -88.927 tors. eta vs tors. theta energy: -169.487 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: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1250.305761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.305761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.305761 (E_RNA) where: Base-Base interactions energy: -813.759 where: short stacking energy: -373.887 Base-Backbone interact. energy: 1.208 local terms energy: -437.754349 where: bonds (distance) C4'-P energy: -93.469 bonds (distance) P-C4' energy: -113.138 flat angles C4'-P-C4' energy: -112.565 flat angles P-C4'-P energy: -74.689 tors. eta vs tors. theta energy: -43.894 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: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -926.438489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.438489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.438489 (E_RNA) where: Base-Base interactions energy: -543.177 where: short stacking energy: -282.851 Base-Backbone interact. energy: 3.184 local terms energy: -386.445259 where: bonds (distance) C4'-P energy: -103.928 bonds (distance) P-C4' energy: -90.391 flat angles C4'-P-C4' energy: -110.056 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -34.893 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: 207 Temperature: 0.900000 Total energy: -2670.154763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.154763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.154763 (E_RNA) where: Base-Base interactions energy: -1920.534 where: short stacking energy: -781.151 Base-Backbone interact. energy: -1.409 local terms energy: -748.210932 where: bonds (distance) C4'-P energy: -137.062 bonds (distance) P-C4' energy: -134.063 flat angles C4'-P-C4' energy: -143.112 flat angles P-C4'-P energy: -96.887 tors. eta vs tors. theta energy: -237.087 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: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2582.585554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.585554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.585554 (E_RNA) where: Base-Base interactions energy: -1835.135 where: short stacking energy: -756.281 Base-Backbone interact. energy: -0.645 local terms energy: -746.805838 where: bonds (distance) C4'-P energy: -129.039 bonds (distance) P-C4' energy: -134.445 flat angles C4'-P-C4' energy: -161.488 flat angles P-C4'-P energy: -108.004 tors. eta vs tors. theta energy: -213.830 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: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2562.211990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.211990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.211990 (E_RNA) where: Base-Base interactions energy: -1815.432 where: short stacking energy: -724.106 Base-Backbone interact. energy: -1.992 local terms energy: -744.787851 where: bonds (distance) C4'-P energy: -132.294 bonds (distance) P-C4' energy: -132.220 flat angles C4'-P-C4' energy: -148.670 flat angles P-C4'-P energy: -104.118 tors. eta vs tors. theta energy: -227.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2460.550297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.550297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.550297 (E_RNA) where: Base-Base interactions energy: -1745.977 where: short stacking energy: -715.833 Base-Backbone interact. energy: -3.551 local terms energy: -711.022667 where: bonds (distance) C4'-P energy: -118.141 bonds (distance) P-C4' energy: -117.708 flat angles C4'-P-C4' energy: -150.497 flat angles P-C4'-P energy: -104.574 tors. eta vs tors. theta energy: -220.103 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: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2340.581841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.581841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.581841 (E_RNA) where: Base-Base interactions energy: -1674.150 where: short stacking energy: -677.293 Base-Backbone interact. energy: -0.206 local terms energy: -666.226606 where: bonds (distance) C4'-P energy: -98.419 bonds (distance) P-C4' energy: -118.236 flat angles C4'-P-C4' energy: -148.795 flat angles P-C4'-P energy: -93.432 tors. eta vs tors. theta energy: -207.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2210.104641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.104641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.104641 (E_RNA) where: Base-Base interactions energy: -1566.783 where: short stacking energy: -630.783 Base-Backbone interact. energy: -0.060 local terms energy: -643.261911 where: bonds (distance) C4'-P energy: -116.046 bonds (distance) P-C4' energy: -107.927 flat angles C4'-P-C4' energy: -128.428 flat angles P-C4'-P energy: -87.645 tors. eta vs tors. theta energy: -203.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2055.389891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.389891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.389891 (E_RNA) where: Base-Base interactions energy: -1436.523 where: short stacking energy: -602.778 Base-Backbone interact. energy: 1.145 local terms energy: -620.012034 where: bonds (distance) C4'-P energy: -100.379 bonds (distance) P-C4' energy: -118.522 flat angles C4'-P-C4' energy: -127.132 flat angles P-C4'-P energy: -108.589 tors. eta vs tors. theta energy: -165.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -2057.314415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.314415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.314415 (E_RNA) where: Base-Base interactions energy: -1465.650 where: short stacking energy: -590.373 Base-Backbone interact. energy: 0.339 local terms energy: -592.003873 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -119.355 flat angles C4'-P-C4' energy: -124.631 flat angles P-C4'-P energy: -88.901 tors. eta vs tors. theta energy: -172.998 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: 207 Temperature: 1.300000 Total energy: -1227.432216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.432216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.432216 (E_RNA) where: Base-Base interactions energy: -772.018 where: short stacking energy: -359.675 Base-Backbone interact. energy: 5.557 local terms energy: -460.971421 where: bonds (distance) C4'-P energy: -104.964 bonds (distance) P-C4' energy: -112.755 flat angles C4'-P-C4' energy: -110.271 flat angles P-C4'-P energy: -70.957 tors. eta vs tors. theta energy: -62.024 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: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -994.597335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.597335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.597335 (E_RNA) where: Base-Base interactions energy: -586.326 where: short stacking energy: -285.660 Base-Backbone interact. energy: 4.698 local terms energy: -412.969370 where: bonds (distance) C4'-P energy: -100.894 bonds (distance) P-C4' energy: -111.939 flat angles C4'-P-C4' energy: -114.099 flat angles P-C4'-P energy: -56.740 tors. eta vs tors. theta energy: -29.297 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: 208 Temperature: 0.900000 Total energy: -2666.353466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.353466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.353466 (E_RNA) where: Base-Base interactions energy: -1891.961 where: short stacking energy: -759.398 Base-Backbone interact. energy: -1.845 local terms energy: -772.547563 where: bonds (distance) C4'-P energy: -145.079 bonds (distance) P-C4' energy: -134.986 flat angles C4'-P-C4' energy: -160.746 flat angles P-C4'-P energy: -106.163 tors. eta vs tors. theta energy: -225.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2581.643196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.643196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.643196 (E_RNA) where: Base-Base interactions energy: -1833.458 where: short stacking energy: -753.216 Base-Backbone interact. energy: -0.787 local terms energy: -747.398209 where: bonds (distance) C4'-P energy: -135.617 bonds (distance) P-C4' energy: -117.788 flat angles C4'-P-C4' energy: -162.335 flat angles P-C4'-P energy: -99.697 tors. eta vs tors. theta energy: -231.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2469.509421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.509421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.509421 (E_RNA) where: Base-Base interactions energy: -1748.841 where: short stacking energy: -734.250 Base-Backbone interact. energy: 0.486 local terms energy: -721.154312 where: bonds (distance) C4'-P energy: -124.135 bonds (distance) P-C4' energy: -110.934 flat angles C4'-P-C4' energy: -149.903 flat angles P-C4'-P energy: -110.516 tors. eta vs tors. theta energy: -225.666 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: 4, replica: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2515.037652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.037652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.037652 (E_RNA) where: Base-Base interactions energy: -1799.447 where: short stacking energy: -712.172 Base-Backbone interact. energy: 1.861 local terms energy: -717.451134 where: bonds (distance) C4'-P energy: -120.259 bonds (distance) P-C4' energy: -102.005 flat angles C4'-P-C4' energy: -156.222 flat angles P-C4'-P energy: -108.632 tors. eta vs tors. theta energy: -230.333 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: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2347.087233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.087233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.087233 (E_RNA) where: Base-Base interactions energy: -1653.582 where: short stacking energy: -677.173 Base-Backbone interact. energy: 0.387 local terms energy: -693.891569 where: bonds (distance) C4'-P energy: -123.305 bonds (distance) P-C4' energy: -119.121 flat angles C4'-P-C4' energy: -141.373 flat angles P-C4'-P energy: -108.606 tors. eta vs tors. theta energy: -201.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2224.533433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.533433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.533433 (E_RNA) where: Base-Base interactions energy: -1557.322 where: short stacking energy: -647.504 Base-Backbone interact. energy: -0.220 local terms energy: -666.991394 where: bonds (distance) C4'-P energy: -126.833 bonds (distance) P-C4' energy: -117.733 flat angles C4'-P-C4' energy: -134.745 flat angles P-C4'-P energy: -87.112 tors. eta vs tors. theta energy: -200.568 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: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -2128.185757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.185757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.185757 (E_RNA) where: Base-Base interactions energy: -1494.660 where: short stacking energy: -636.776 Base-Backbone interact. energy: -1.340 local terms energy: -632.185068 where: bonds (distance) C4'-P energy: -116.248 bonds (distance) P-C4' energy: -103.679 flat angles C4'-P-C4' energy: -136.941 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -192.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -2007.358247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.358247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.358247 (E_RNA) where: Base-Base interactions energy: -1408.468 where: short stacking energy: -586.701 Base-Backbone interact. energy: -1.681 local terms energy: -597.209567 where: bonds (distance) C4'-P energy: -111.161 bonds (distance) P-C4' energy: -99.340 flat angles C4'-P-C4' energy: -132.765 flat angles P-C4'-P energy: -79.122 tors. eta vs tors. theta energy: -174.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1241.895160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.895160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.895160 (E_RNA) where: Base-Base interactions energy: -812.774 where: short stacking energy: -363.540 Base-Backbone interact. energy: 1.418 local terms energy: -430.539055 where: bonds (distance) C4'-P energy: -87.954 bonds (distance) P-C4' energy: -91.435 flat angles C4'-P-C4' energy: -132.781 flat angles P-C4'-P energy: -70.155 tors. eta vs tors. theta energy: -48.215 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: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -985.426104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.426104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.426104 (E_RNA) where: Base-Base interactions energy: -554.290 where: short stacking energy: -267.189 Base-Backbone interact. energy: -2.110 local terms energy: -429.026099 where: bonds (distance) C4'-P energy: -113.751 bonds (distance) P-C4' energy: -104.440 flat angles C4'-P-C4' energy: -97.229 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -34.456 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: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2667.573597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.573597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.573597 (E_RNA) where: Base-Base interactions energy: -1904.363 where: short stacking energy: -759.564 Base-Backbone interact. energy: -2.131 local terms energy: -761.080066 where: bonds (distance) C4'-P energy: -132.123 bonds (distance) P-C4' energy: -134.902 flat angles C4'-P-C4' energy: -155.127 flat angles P-C4'-P energy: -104.611 tors. eta vs tors. theta energy: -234.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2609.766729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.766729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.766729 (E_RNA) where: Base-Base interactions energy: -1863.663 where: short stacking energy: -756.237 Base-Backbone interact. energy: -1.737 local terms energy: -744.367000 where: bonds (distance) C4'-P energy: -122.003 bonds (distance) P-C4' energy: -134.739 flat angles C4'-P-C4' energy: -147.258 flat angles P-C4'-P energy: -112.353 tors. eta vs tors. theta energy: -228.014 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: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2508.799470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.799470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.799470 (E_RNA) where: Base-Base interactions energy: -1769.100 where: short stacking energy: -722.461 Base-Backbone interact. energy: -4.394 local terms energy: -735.305078 where: bonds (distance) C4'-P energy: -114.987 bonds (distance) P-C4' energy: -134.548 flat angles C4'-P-C4' energy: -161.523 flat angles P-C4'-P energy: -93.245 tors. eta vs tors. theta energy: -231.002 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: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2516.575730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.575730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.575730 (E_RNA) where: Base-Base interactions energy: -1810.989 where: short stacking energy: -738.392 Base-Backbone interact. energy: -1.604 local terms energy: -703.982743 where: bonds (distance) C4'-P energy: -101.090 bonds (distance) P-C4' energy: -127.042 flat angles C4'-P-C4' energy: -141.990 flat angles P-C4'-P energy: -107.620 tors. eta vs tors. theta energy: -226.241 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: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2379.059240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.059240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.059240 (E_RNA) where: Base-Base interactions energy: -1695.881 where: short stacking energy: -696.456 Base-Backbone interact. energy: -0.287 local terms energy: -682.891682 where: bonds (distance) C4'-P energy: -108.277 bonds (distance) P-C4' energy: -115.689 flat angles C4'-P-C4' energy: -142.412 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -209.254 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: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2251.365181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.365181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.365181 (E_RNA) where: Base-Base interactions energy: -1604.106 where: short stacking energy: -655.065 Base-Backbone interact. energy: -1.038 local terms energy: -646.221858 where: bonds (distance) C4'-P energy: -116.127 bonds (distance) P-C4' energy: -97.940 flat angles C4'-P-C4' energy: -139.939 flat angles P-C4'-P energy: -95.810 tors. eta vs tors. theta energy: -196.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2162.464700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.464700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.464700 (E_RNA) where: Base-Base interactions energy: -1533.678 where: short stacking energy: -628.385 Base-Backbone interact. energy: -1.924 local terms energy: -626.861810 where: bonds (distance) C4'-P energy: -106.653 bonds (distance) P-C4' energy: -111.330 flat angles C4'-P-C4' energy: -125.611 flat angles P-C4'-P energy: -84.342 tors. eta vs tors. theta energy: -198.926 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: 8 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1969.883198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.883198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.883198 (E_RNA) where: Base-Base interactions energy: -1398.034 where: short stacking energy: -569.310 Base-Backbone interact. energy: 2.337 local terms energy: -574.185358 where: bonds (distance) C4'-P energy: -119.504 bonds (distance) P-C4' energy: -103.420 flat angles C4'-P-C4' energy: -119.306 flat angles P-C4'-P energy: -70.597 tors. eta vs tors. theta energy: -161.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1263.051958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.051958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.051958 (E_RNA) where: Base-Base interactions energy: -798.865 where: short stacking energy: -399.716 Base-Backbone interact. energy: -2.876 local terms energy: -461.311752 where: bonds (distance) C4'-P energy: -112.754 bonds (distance) P-C4' energy: -99.510 flat angles C4'-P-C4' energy: -98.544 flat angles P-C4'-P energy: -67.529 tors. eta vs tors. theta energy: -82.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -904.140770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.140770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.140770 (E_RNA) where: Base-Base interactions energy: -553.481 where: short stacking energy: -251.877 Base-Backbone interact. energy: 3.494 local terms energy: -354.154123 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -113.854 flat angles C4'-P-C4' energy: -98.160 flat angles P-C4'-P energy: -44.468 tors. eta vs tors. theta energy: -3.057 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: 210 Temperature: 0.900000 Total energy: -2682.494536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.494536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.494536 (E_RNA) where: Base-Base interactions energy: -1893.851 where: short stacking energy: -758.445 Base-Backbone interact. energy: -1.445 local terms energy: -787.198359 where: bonds (distance) C4'-P energy: -144.247 bonds (distance) P-C4' energy: -142.854 flat angles C4'-P-C4' energy: -158.144 flat angles P-C4'-P energy: -109.666 tors. eta vs tors. theta energy: -232.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2590.711644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.711644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.711644 (E_RNA) where: Base-Base interactions energy: -1837.267 where: short stacking energy: -762.684 Base-Backbone interact. energy: -2.108 local terms energy: -751.337045 where: bonds (distance) C4'-P energy: -134.755 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -162.666 flat angles P-C4'-P energy: -94.429 tors. eta vs tors. theta energy: -236.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2531.029086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.029086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.029086 (E_RNA) where: Base-Base interactions energy: -1798.351 where: short stacking energy: -731.037 Base-Backbone interact. energy: -0.768 local terms energy: -731.910690 where: bonds (distance) C4'-P energy: -132.865 bonds (distance) P-C4' energy: -115.791 flat angles C4'-P-C4' energy: -145.999 flat angles P-C4'-P energy: -106.557 tors. eta vs tors. theta energy: -230.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2472.126340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.126340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.126340 (E_RNA) where: Base-Base interactions energy: -1756.591 where: short stacking energy: -694.211 Base-Backbone interact. energy: -5.384 local terms energy: -710.151165 where: bonds (distance) C4'-P energy: -114.237 bonds (distance) P-C4' energy: -130.146 flat angles C4'-P-C4' energy: -147.514 flat angles P-C4'-P energy: -100.425 tors. eta vs tors. theta energy: -217.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2355.907456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.907456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.907456 (E_RNA) where: Base-Base interactions energy: -1672.391 where: short stacking energy: -697.121 Base-Backbone interact. energy: -1.044 local terms energy: -682.472686 where: bonds (distance) C4'-P energy: -118.457 bonds (distance) P-C4' energy: -110.928 flat angles C4'-P-C4' energy: -149.772 flat angles P-C4'-P energy: -93.407 tors. eta vs tors. theta energy: -209.908 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: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2270.849874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.849874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.849874 (E_RNA) where: Base-Base interactions energy: -1585.087 where: short stacking energy: -644.889 Base-Backbone interact. energy: -0.905 local terms energy: -684.858252 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -125.312 flat angles C4'-P-C4' energy: -143.914 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -196.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2188.423102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.423102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.423102 (E_RNA) where: Base-Base interactions energy: -1523.749 where: short stacking energy: -625.966 Base-Backbone interact. energy: 2.743 local terms energy: -667.417342 where: bonds (distance) C4'-P energy: -108.509 bonds (distance) P-C4' energy: -118.504 flat angles C4'-P-C4' energy: -151.529 flat angles P-C4'-P energy: -90.479 tors. eta vs tors. theta energy: -198.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1963.016784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.016784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.016784 (E_RNA) where: Base-Base interactions energy: -1363.471 where: short stacking energy: -550.267 Base-Backbone interact. energy: -0.567 local terms energy: -598.978311 where: bonds (distance) C4'-P energy: -110.039 bonds (distance) P-C4' energy: -112.844 flat angles C4'-P-C4' energy: -140.829 flat angles P-C4'-P energy: -81.088 tors. eta vs tors. theta energy: -154.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1229.942548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.942548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.942548 (E_RNA) where: Base-Base interactions energy: -787.709 where: short stacking energy: -343.399 Base-Backbone interact. energy: -2.968 local terms energy: -439.265291 where: bonds (distance) C4'-P energy: -104.489 bonds (distance) P-C4' energy: -90.813 flat angles C4'-P-C4' energy: -114.680 flat angles P-C4'-P energy: -71.798 tors. eta vs tors. theta energy: -57.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -904.613466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.613466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.613466 (E_RNA) where: Base-Base interactions energy: -504.094 where: short stacking energy: -244.644 Base-Backbone interact. energy: -3.865 local terms energy: -396.654612 where: bonds (distance) C4'-P energy: -104.835 bonds (distance) P-C4' energy: -122.643 flat angles C4'-P-C4' energy: -117.734 flat angles P-C4'-P energy: -41.997 tors. eta vs tors. theta energy: -9.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2666.326115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.326115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.326115 (E_RNA) where: Base-Base interactions energy: -1908.910 where: short stacking energy: -772.976 Base-Backbone interact. energy: -3.533 local terms energy: -753.883421 where: bonds (distance) C4'-P energy: -133.977 bonds (distance) P-C4' energy: -122.188 flat angles C4'-P-C4' energy: -151.622 flat angles P-C4'-P energy: -112.728 tors. eta vs tors. theta energy: -233.368 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: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2597.808173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.808173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.808173 (E_RNA) where: Base-Base interactions energy: -1855.357 where: short stacking energy: -767.669 Base-Backbone interact. energy: -2.005 local terms energy: -740.446659 where: bonds (distance) C4'-P energy: -125.618 bonds (distance) P-C4' energy: -129.717 flat angles C4'-P-C4' energy: -158.320 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -230.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2553.714661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.714661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.714661 (E_RNA) where: Base-Base interactions energy: -1834.294 where: short stacking energy: -757.661 Base-Backbone interact. energy: -0.407 local terms energy: -719.014042 where: bonds (distance) C4'-P energy: -117.343 bonds (distance) P-C4' energy: -121.859 flat angles C4'-P-C4' energy: -152.116 flat angles P-C4'-P energy: -100.411 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: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2449.262909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.262909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.262909 (E_RNA) where: Base-Base interactions energy: -1719.766 where: short stacking energy: -699.972 Base-Backbone interact. energy: 2.974 local terms energy: -732.470260 where: bonds (distance) C4'-P energy: -134.169 bonds (distance) P-C4' energy: -126.960 flat angles C4'-P-C4' energy: -157.305 flat angles P-C4'-P energy: -98.044 tors. eta vs tors. theta energy: -215.992 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: 5, replica: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2344.849521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.849521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.849521 (E_RNA) where: Base-Base interactions energy: -1671.136 where: short stacking energy: -699.808 Base-Backbone interact. energy: 2.973 local terms energy: -676.687206 where: bonds (distance) C4'-P energy: -107.086 bonds (distance) P-C4' energy: -132.638 flat angles C4'-P-C4' energy: -133.337 flat angles P-C4'-P energy: -100.802 tors. eta vs tors. theta energy: -202.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2254.172543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.172543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.172543 (E_RNA) where: Base-Base interactions energy: -1584.849 where: short stacking energy: -667.342 Base-Backbone interact. energy: -1.665 local terms energy: -667.658620 where: bonds (distance) C4'-P energy: -113.505 bonds (distance) P-C4' energy: -105.260 flat angles C4'-P-C4' energy: -152.545 flat angles P-C4'-P energy: -95.997 tors. eta vs tors. theta energy: -200.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2240.972423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.972423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.972423 (E_RNA) where: Base-Base interactions energy: -1584.959 where: short stacking energy: -632.254 Base-Backbone interact. energy: -4.187 local terms energy: -651.826848 where: bonds (distance) C4'-P energy: -101.458 bonds (distance) P-C4' energy: -125.606 flat angles C4'-P-C4' energy: -140.035 flat angles P-C4'-P energy: -91.345 tors. eta vs tors. theta energy: -193.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1949.607890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.607890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.607890 (E_RNA) where: Base-Base interactions energy: -1338.773 where: short stacking energy: -550.364 Base-Backbone interact. energy: -2.035 local terms energy: -608.799271 where: bonds (distance) C4'-P energy: -100.253 bonds (distance) P-C4' energy: -120.670 flat angles C4'-P-C4' energy: -137.136 flat angles P-C4'-P energy: -89.083 tors. eta vs tors. theta energy: -161.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1235.718727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.718727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.718727 (E_RNA) where: Base-Base interactions energy: -782.599 where: short stacking energy: -336.880 Base-Backbone interact. energy: -0.661 local terms energy: -452.458444 where: bonds (distance) C4'-P energy: -94.418 bonds (distance) P-C4' energy: -117.424 flat angles C4'-P-C4' energy: -111.631 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -59.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -867.964376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.964376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.964376 (E_RNA) where: Base-Base interactions energy: -500.018 where: short stacking energy: -229.917 Base-Backbone interact. energy: 4.657 local terms energy: -372.603553 where: bonds (distance) C4'-P energy: -113.150 bonds (distance) P-C4' energy: -108.844 flat angles C4'-P-C4' energy: -85.126 flat angles P-C4'-P energy: -69.285 tors. eta vs tors. theta energy: 3.802 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: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2684.613398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.613398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.613398 (E_RNA) where: Base-Base interactions energy: -1923.933 where: short stacking energy: -773.833 Base-Backbone interact. energy: -1.559 local terms energy: -759.121130 where: bonds (distance) C4'-P energy: -116.112 bonds (distance) P-C4' energy: -143.031 flat angles C4'-P-C4' energy: -154.797 flat angles P-C4'-P energy: -112.566 tors. eta vs tors. theta energy: -232.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2621.036291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.036291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.036291 (E_RNA) where: Base-Base interactions energy: -1881.368 where: short stacking energy: -753.543 Base-Backbone interact. energy: -0.538 local terms energy: -739.130104 where: bonds (distance) C4'-P energy: -125.163 bonds (distance) P-C4' energy: -117.167 flat angles C4'-P-C4' energy: -163.333 flat angles P-C4'-P energy: -98.326 tors. eta vs tors. theta energy: -235.140 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: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2548.545595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.545595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.545595 (E_RNA) where: Base-Base interactions energy: -1820.283 where: short stacking energy: -730.096 Base-Backbone interact. energy: -1.644 local terms energy: -726.619028 where: bonds (distance) C4'-P energy: -123.085 bonds (distance) P-C4' energy: -134.930 flat angles C4'-P-C4' energy: -128.606 flat angles P-C4'-P energy: -106.683 tors. eta vs tors. theta energy: -233.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2457.617966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.617966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.617966 (E_RNA) where: Base-Base interactions energy: -1728.752 where: short stacking energy: -712.402 Base-Backbone interact. energy: -1.636 local terms energy: -727.230069 where: bonds (distance) C4'-P energy: -137.227 bonds (distance) P-C4' energy: -113.617 flat angles C4'-P-C4' energy: -142.142 flat angles P-C4'-P energy: -104.995 tors. eta vs tors. theta energy: -229.250 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: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2365.636258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.636258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.636258 (E_RNA) where: Base-Base interactions energy: -1692.820 where: short stacking energy: -702.180 Base-Backbone interact. energy: -2.168 local terms energy: -670.647423 where: bonds (distance) C4'-P energy: -113.185 bonds (distance) P-C4' energy: -119.085 flat angles C4'-P-C4' energy: -139.414 flat angles P-C4'-P energy: -91.365 tors. eta vs tors. theta energy: -207.598 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: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2215.458697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.458697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.458697 (E_RNA) where: Base-Base interactions energy: -1578.501 where: short stacking energy: -659.254 Base-Backbone interact. energy: 0.717 local terms energy: -637.674583 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -109.091 flat angles C4'-P-C4' energy: -134.219 flat angles P-C4'-P energy: -86.681 tors. eta vs tors. theta energy: -198.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2194.744676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.744676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.744676 (E_RNA) where: Base-Base interactions energy: -1549.486 where: short stacking energy: -614.211 Base-Backbone interact. energy: 0.902 local terms energy: -646.160045 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -117.127 flat angles C4'-P-C4' energy: -132.040 flat angles P-C4'-P energy: -77.927 tors. eta vs tors. theta energy: -195.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1945.836250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.836250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.836250 (E_RNA) where: Base-Base interactions energy: -1347.578 where: short stacking energy: -569.296 Base-Backbone interact. energy: -1.052 local terms energy: -597.206472 where: bonds (distance) C4'-P energy: -118.941 bonds (distance) P-C4' energy: -105.394 flat angles C4'-P-C4' energy: -125.883 flat angles P-C4'-P energy: -91.556 tors. eta vs tors. theta energy: -155.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1254.617916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.617916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.617916 (E_RNA) where: Base-Base interactions energy: -776.775 where: short stacking energy: -333.909 Base-Backbone interact. energy: -1.857 local terms energy: -475.985352 where: bonds (distance) C4'-P energy: -111.582 bonds (distance) P-C4' energy: -106.980 flat angles C4'-P-C4' energy: -100.740 flat angles P-C4'-P energy: -88.519 tors. eta vs tors. theta energy: -68.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -843.690051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.690051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.690051 (E_RNA) where: Base-Base interactions energy: -453.556 where: short stacking energy: -210.333 Base-Backbone interact. energy: 4.489 local terms energy: -394.622721 where: bonds (distance) C4'-P energy: -121.351 bonds (distance) P-C4' energy: -118.030 flat angles C4'-P-C4' energy: -100.360 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2672.728496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.728496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.728496 (E_RNA) where: Base-Base interactions energy: -1908.463 where: short stacking energy: -764.655 Base-Backbone interact. energy: -2.355 local terms energy: -761.910573 where: bonds (distance) C4'-P energy: -136.213 bonds (distance) P-C4' energy: -134.764 flat angles C4'-P-C4' energy: -158.949 flat angles P-C4'-P energy: -103.224 tors. eta vs tors. theta energy: -228.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2604.900230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.900230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.900230 (E_RNA) where: Base-Base interactions energy: -1885.305 where: short stacking energy: -753.220 Base-Backbone interact. energy: -0.019 local terms energy: -719.576439 where: bonds (distance) C4'-P energy: -120.398 bonds (distance) P-C4' energy: -132.344 flat angles C4'-P-C4' energy: -147.775 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -224.218 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: 10 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2547.254636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.254636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.254636 (E_RNA) where: Base-Base interactions energy: -1817.808 where: short stacking energy: -730.559 Base-Backbone interact. energy: 0.985 local terms energy: -730.432320 where: bonds (distance) C4'-P energy: -115.457 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -155.442 flat angles P-C4'-P energy: -101.805 tors. eta vs tors. theta energy: -225.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2462.631971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.631971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.631971 (E_RNA) where: Base-Base interactions energy: -1748.552 where: short stacking energy: -704.739 Base-Backbone interact. energy: -1.366 local terms energy: -712.713655 where: bonds (distance) C4'-P energy: -124.695 bonds (distance) P-C4' energy: -126.885 flat angles C4'-P-C4' energy: -147.151 flat angles P-C4'-P energy: -89.208 tors. eta vs tors. theta energy: -224.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2331.726472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.726472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.726472 (E_RNA) where: Base-Base interactions energy: -1663.032 where: short stacking energy: -700.230 Base-Backbone interact. energy: 1.033 local terms energy: -669.727685 where: bonds (distance) C4'-P energy: -114.041 bonds (distance) P-C4' energy: -115.390 flat angles C4'-P-C4' energy: -145.355 flat angles P-C4'-P energy: -94.776 tors. eta vs tors. theta energy: -200.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2264.444064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.444064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.444064 (E_RNA) where: Base-Base interactions energy: -1581.829 where: short stacking energy: -670.083 Base-Backbone interact. energy: -1.057 local terms energy: -681.558648 where: bonds (distance) C4'-P energy: -99.596 bonds (distance) P-C4' energy: -118.283 flat angles C4'-P-C4' energy: -159.273 flat angles P-C4'-P energy: -93.986 tors. eta vs tors. theta energy: -210.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2242.805862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.805862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.805862 (E_RNA) where: Base-Base interactions energy: -1609.187 where: short stacking energy: -637.201 Base-Backbone interact. energy: -1.291 local terms energy: -632.328387 where: bonds (distance) C4'-P energy: -83.654 bonds (distance) P-C4' energy: -120.141 flat angles C4'-P-C4' energy: -145.934 flat angles P-C4'-P energy: -82.530 tors. eta vs tors. theta energy: -200.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1876.657239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.657239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.657239 (E_RNA) where: Base-Base interactions energy: -1281.469 where: short stacking energy: -531.755 Base-Backbone interact. energy: -0.689 local terms energy: -594.498672 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -133.371 flat angles C4'-P-C4' energy: -117.891 flat angles P-C4'-P energy: -85.631 tors. eta vs tors. theta energy: -159.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1315.044664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.044664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.044664 (E_RNA) where: Base-Base interactions energy: -840.005 where: short stacking energy: -374.342 Base-Backbone interact. energy: 0.627 local terms energy: -475.666642 where: bonds (distance) C4'-P energy: -111.861 bonds (distance) P-C4' energy: -110.150 flat angles C4'-P-C4' energy: -119.572 flat angles P-C4'-P energy: -52.470 tors. eta vs tors. theta energy: -81.614 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: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -916.500725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.500725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.500725 (E_RNA) where: Base-Base interactions energy: -505.544 where: short stacking energy: -252.409 Base-Backbone interact. energy: -0.300 local terms energy: -410.656629 where: bonds (distance) C4'-P energy: -116.013 bonds (distance) P-C4' energy: -131.328 flat angles C4'-P-C4' energy: -106.137 flat angles P-C4'-P energy: -46.940 tors. eta vs tors. theta energy: -10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2682.159772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.159772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.159772 (E_RNA) where: Base-Base interactions energy: -1903.269 where: short stacking energy: -758.364 Base-Backbone interact. energy: -3.836 local terms energy: -775.055068 where: bonds (distance) C4'-P energy: -129.142 bonds (distance) P-C4' energy: -147.981 flat angles C4'-P-C4' energy: -158.614 flat angles P-C4'-P energy: -107.483 tors. eta vs tors. theta energy: -231.835 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: 2, replica: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2607.058454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.058454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.058454 (E_RNA) where: Base-Base interactions energy: -1842.901 where: short stacking energy: -757.318 Base-Backbone interact. energy: -2.326 local terms energy: -761.830639 where: bonds (distance) C4'-P energy: -127.719 bonds (distance) P-C4' energy: -141.282 flat angles C4'-P-C4' energy: -159.622 flat angles P-C4'-P energy: -97.755 tors. eta vs tors. theta energy: -235.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2528.582153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.582153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.582153 (E_RNA) where: Base-Base interactions energy: -1782.205 where: short stacking energy: -743.547 Base-Backbone interact. energy: 0.614 local terms energy: -746.991529 where: bonds (distance) C4'-P energy: -129.719 bonds (distance) P-C4' energy: -131.267 flat angles C4'-P-C4' energy: -155.601 flat angles P-C4'-P energy: -100.250 tors. eta vs tors. theta energy: -230.154 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: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2451.510732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.510732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.510732 (E_RNA) where: Base-Base interactions energy: -1727.721 where: short stacking energy: -702.401 Base-Backbone interact. energy: -0.233 local terms energy: -723.556989 where: bonds (distance) C4'-P energy: -130.700 bonds (distance) P-C4' energy: -113.728 flat angles C4'-P-C4' energy: -151.044 flat angles P-C4'-P energy: -110.335 tors. eta vs tors. theta energy: -217.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2354.027549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.027549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.027549 (E_RNA) where: Base-Base interactions energy: -1674.907 where: short stacking energy: -706.407 Base-Backbone interact. energy: -1.240 local terms energy: -677.880580 where: bonds (distance) C4'-P energy: -132.597 bonds (distance) P-C4' energy: -118.692 flat angles C4'-P-C4' energy: -137.083 flat angles P-C4'-P energy: -77.532 tors. eta vs tors. theta energy: -211.977 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: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2287.460550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.460550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.460550 (E_RNA) where: Base-Base interactions energy: -1633.191 where: short stacking energy: -685.536 Base-Backbone interact. energy: -0.039 local terms energy: -654.231108 where: bonds (distance) C4'-P energy: -93.794 bonds (distance) P-C4' energy: -111.341 flat angles C4'-P-C4' energy: -153.311 flat angles P-C4'-P energy: -89.059 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: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2221.760632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.760632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.760632 (E_RNA) where: Base-Base interactions energy: -1592.313 where: short stacking energy: -636.735 Base-Backbone interact. energy: -0.026 local terms energy: -629.421752 where: bonds (distance) C4'-P energy: -98.878 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -124.047 flat angles P-C4'-P energy: -88.165 tors. eta vs tors. theta energy: -203.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1904.562181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.562181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.562181 (E_RNA) where: Base-Base interactions energy: -1323.174 where: short stacking energy: -552.692 Base-Backbone interact. energy: -1.259 local terms energy: -580.129340 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -103.804 flat angles C4'-P-C4' energy: -136.504 flat angles P-C4'-P energy: -81.912 tors. eta vs tors. theta energy: -153.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1270.201588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.201588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.201588 (E_RNA) where: Base-Base interactions energy: -805.238 where: short stacking energy: -379.770 Base-Backbone interact. energy: 1.471 local terms energy: -466.434361 where: bonds (distance) C4'-P energy: -95.843 bonds (distance) P-C4' energy: -119.642 flat angles C4'-P-C4' energy: -115.195 flat angles P-C4'-P energy: -63.500 tors. eta vs tors. theta energy: -72.254 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: 10, replica: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -942.524777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.524777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.524777 (E_RNA) where: Base-Base interactions energy: -537.036 where: short stacking energy: -275.318 Base-Backbone interact. energy: 5.850 local terms energy: -411.338849 where: bonds (distance) C4'-P energy: -107.085 bonds (distance) P-C4' energy: -106.435 flat angles C4'-P-C4' energy: -110.402 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -26.054 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: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2669.923650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.923650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.923650 (E_RNA) where: Base-Base interactions energy: -1903.449 where: short stacking energy: -766.410 Base-Backbone interact. energy: -2.406 local terms energy: -764.068821 where: bonds (distance) C4'-P energy: -130.049 bonds (distance) P-C4' energy: -136.969 flat angles C4'-P-C4' energy: -159.420 flat angles P-C4'-P energy: -101.311 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: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2572.625281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.625281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.625281 (E_RNA) where: Base-Base interactions energy: -1789.301 where: short stacking energy: -754.114 Base-Backbone interact. energy: -2.729 local terms energy: -780.595274 where: bonds (distance) C4'-P energy: -138.617 bonds (distance) P-C4' energy: -128.829 flat angles C4'-P-C4' energy: -168.167 flat angles P-C4'-P energy: -105.674 tors. eta vs tors. theta energy: -239.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2551.448296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.448296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.448296 (E_RNA) where: Base-Base interactions energy: -1812.578 where: short stacking energy: -730.457 Base-Backbone interact. energy: -0.487 local terms energy: -738.383063 where: bonds (distance) C4'-P energy: -121.320 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -165.217 flat angles P-C4'-P energy: -100.242 tors. eta vs tors. theta energy: -229.250 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: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2459.995569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.995569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.995569 (E_RNA) where: Base-Base interactions energy: -1733.992 where: short stacking energy: -718.406 Base-Backbone interact. energy: -1.572 local terms energy: -724.431206 where: bonds (distance) C4'-P energy: -116.223 bonds (distance) P-C4' energy: -127.911 flat angles C4'-P-C4' energy: -157.325 flat angles P-C4'-P energy: -103.598 tors. eta vs tors. theta energy: -219.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2326.118832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.118832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.118832 (E_RNA) where: Base-Base interactions energy: -1650.854 where: short stacking energy: -672.042 Base-Backbone interact. energy: -0.749 local terms energy: -674.516310 where: bonds (distance) C4'-P energy: -102.577 bonds (distance) P-C4' energy: -117.023 flat angles C4'-P-C4' energy: -149.701 flat angles P-C4'-P energy: -93.342 tors. eta vs tors. theta energy: -211.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2260.315626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.315626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.315626 (E_RNA) where: Base-Base interactions energy: -1580.858 where: short stacking energy: -670.454 Base-Backbone interact. energy: -2.058 local terms energy: -677.399165 where: bonds (distance) C4'-P energy: -127.946 bonds (distance) P-C4' energy: -116.365 flat angles C4'-P-C4' energy: -125.699 flat angles P-C4'-P energy: -108.463 tors. eta vs tors. theta energy: -198.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2224.970131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.970131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.970131 (E_RNA) where: Base-Base interactions energy: -1582.019 where: short stacking energy: -660.624 Base-Backbone interact. energy: -1.980 local terms energy: -640.971616 where: bonds (distance) C4'-P energy: -122.946 bonds (distance) P-C4' energy: -105.417 flat angles C4'-P-C4' energy: -141.033 flat angles P-C4'-P energy: -74.942 tors. eta vs tors. theta energy: -196.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1893.287562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.287562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.287562 (E_RNA) where: Base-Base interactions energy: -1319.150 where: short stacking energy: -557.134 Base-Backbone interact. energy: -1.621 local terms energy: -572.516693 where: bonds (distance) C4'-P energy: -117.661 bonds (distance) P-C4' energy: -97.865 flat angles C4'-P-C4' energy: -119.981 flat angles P-C4'-P energy: -85.524 tors. eta vs tors. theta energy: -151.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1234.533067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.533067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.533067 (E_RNA) where: Base-Base interactions energy: -750.067 where: short stacking energy: -357.471 Base-Backbone interact. energy: 6.153 local terms energy: -490.619335 where: bonds (distance) C4'-P energy: -118.652 bonds (distance) P-C4' energy: -114.740 flat angles C4'-P-C4' energy: -122.532 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -67.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -916.585073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.585073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.585073 (E_RNA) where: Base-Base interactions energy: -516.296 where: short stacking energy: -268.950 Base-Backbone interact. energy: 1.761 local terms energy: -402.050043 where: bonds (distance) C4'-P energy: -108.659 bonds (distance) P-C4' energy: -115.311 flat angles C4'-P-C4' energy: -96.207 flat angles P-C4'-P energy: -62.207 tors. eta vs tors. theta energy: -19.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2638.271597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.271597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.271597 (E_RNA) where: Base-Base interactions energy: -1891.126 where: short stacking energy: -765.929 Base-Backbone interact. energy: -2.022 local terms energy: -745.123127 where: bonds (distance) C4'-P energy: -118.358 bonds (distance) P-C4' energy: -141.992 flat angles C4'-P-C4' energy: -148.438 flat angles P-C4'-P energy: -105.776 tors. eta vs tors. theta energy: -230.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2571.471919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.471919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.471919 (E_RNA) where: Base-Base interactions energy: -1815.848 where: short stacking energy: -754.033 Base-Backbone interact. energy: -1.671 local terms energy: -753.952986 where: bonds (distance) C4'-P energy: -115.804 bonds (distance) P-C4' energy: -144.281 flat angles C4'-P-C4' energy: -158.788 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -232.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2562.385643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.385643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.385643 (E_RNA) where: Base-Base interactions energy: -1832.508 where: short stacking energy: -748.914 Base-Backbone interact. energy: -2.964 local terms energy: -726.913322 where: bonds (distance) C4'-P energy: -126.488 bonds (distance) P-C4' energy: -130.458 flat angles C4'-P-C4' energy: -145.998 flat angles P-C4'-P energy: -107.439 tors. eta vs tors. theta energy: -216.529 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: 216 Temperature: 1.050000 Total energy: -2461.538707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.538707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.538707 (E_RNA) where: Base-Base interactions energy: -1719.495 where: short stacking energy: -697.399 Base-Backbone interact. energy: -1.770 local terms energy: -740.273010 where: bonds (distance) C4'-P energy: -122.110 bonds (distance) P-C4' energy: -138.966 flat angles C4'-P-C4' energy: -140.976 flat angles P-C4'-P energy: -109.233 tors. eta vs tors. theta energy: -228.989 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: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2351.596372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.596372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.596372 (E_RNA) where: Base-Base interactions energy: -1655.651 where: short stacking energy: -699.071 Base-Backbone interact. energy: -1.347 local terms energy: -694.598269 where: bonds (distance) C4'-P energy: -100.344 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -150.877 flat angles P-C4'-P energy: -103.914 tors. eta vs tors. theta energy: -210.407 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: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2303.844657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.844657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.844657 (E_RNA) where: Base-Base interactions energy: -1598.067 where: short stacking energy: -667.223 Base-Backbone interact. energy: -1.319 local terms energy: -704.457755 where: bonds (distance) C4'-P energy: -129.640 bonds (distance) P-C4' energy: -136.316 flat angles C4'-P-C4' energy: -147.848 flat angles P-C4'-P energy: -94.560 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: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2227.804546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.804546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.804546 (E_RNA) where: Base-Base interactions energy: -1569.485 where: short stacking energy: -655.766 Base-Backbone interact. energy: -0.243 local terms energy: -658.076074 where: bonds (distance) C4'-P energy: -113.349 bonds (distance) P-C4' energy: -118.876 flat angles C4'-P-C4' energy: -139.794 flat angles P-C4'-P energy: -80.176 tors. eta vs tors. theta energy: -205.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1958.946557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.946557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.946557 (E_RNA) where: Base-Base interactions energy: -1370.466 where: short stacking energy: -573.749 Base-Backbone interact. energy: 0.968 local terms energy: -589.448257 where: bonds (distance) C4'-P energy: -108.525 bonds (distance) P-C4' energy: -112.414 flat angles C4'-P-C4' energy: -121.361 flat angles P-C4'-P energy: -80.532 tors. eta vs tors. theta energy: -166.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1164.584216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.584216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.584216 (E_RNA) where: Base-Base interactions energy: -709.949 where: short stacking energy: -298.192 Base-Backbone interact. energy: -0.441 local terms energy: -454.193566 where: bonds (distance) C4'-P energy: -115.619 bonds (distance) P-C4' energy: -117.323 flat angles C4'-P-C4' energy: -111.816 flat angles P-C4'-P energy: -63.365 tors. eta vs tors. theta energy: -46.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -881.965347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.965347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.965347 (E_RNA) where: Base-Base interactions energy: -498.686 where: short stacking energy: -261.008 Base-Backbone interact. energy: 3.136 local terms energy: -386.414573 where: bonds (distance) C4'-P energy: -100.429 bonds (distance) P-C4' energy: -121.535 flat angles C4'-P-C4' energy: -83.411 flat angles P-C4'-P energy: -63.981 tors. eta vs tors. theta energy: -17.059 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: 217 Temperature: 0.900000 Total energy: -2649.601411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.601411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.601411 (E_RNA) where: Base-Base interactions energy: -1882.763 where: short stacking energy: -757.183 Base-Backbone interact. energy: -1.798 local terms energy: -765.040344 where: bonds (distance) C4'-P energy: -130.059 bonds (distance) P-C4' energy: -130.083 flat angles C4'-P-C4' energy: -164.551 flat angles P-C4'-P energy: -115.712 tors. eta vs tors. theta energy: -224.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2594.047581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.047581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.047581 (E_RNA) where: Base-Base interactions energy: -1833.471 where: short stacking energy: -747.185 Base-Backbone interact. energy: -4.166 local terms energy: -756.411145 where: bonds (distance) C4'-P energy: -123.475 bonds (distance) P-C4' energy: -122.324 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -112.170 tors. eta vs tors. theta energy: -234.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2569.110622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.110622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.110622 (E_RNA) where: Base-Base interactions energy: -1802.614 where: short stacking energy: -710.017 Base-Backbone interact. energy: -2.856 local terms energy: -763.641109 where: bonds (distance) C4'-P energy: -133.936 bonds (distance) P-C4' energy: -129.701 flat angles C4'-P-C4' energy: -150.563 flat angles P-C4'-P energy: -115.750 tors. eta vs tors. theta energy: -233.691 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: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2430.940197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.940197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.940197 (E_RNA) where: Base-Base interactions energy: -1711.928 where: short stacking energy: -700.263 Base-Backbone interact. energy: -3.263 local terms energy: -715.749645 where: bonds (distance) C4'-P energy: -131.601 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -151.625 flat angles P-C4'-P energy: -98.472 tors. eta vs tors. theta energy: -215.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2361.127564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.127564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.127564 (E_RNA) where: Base-Base interactions energy: -1681.734 where: short stacking energy: -686.867 Base-Backbone interact. energy: -4.657 local terms energy: -674.736905 where: bonds (distance) C4'-P energy: -119.607 bonds (distance) P-C4' energy: -115.731 flat angles C4'-P-C4' energy: -133.954 flat angles P-C4'-P energy: -93.788 tors. eta vs tors. theta energy: -211.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2276.359749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.359749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.359749 (E_RNA) where: Base-Base interactions energy: -1614.745 where: short stacking energy: -662.499 Base-Backbone interact. energy: 3.903 local terms energy: -665.517228 where: bonds (distance) C4'-P energy: -125.404 bonds (distance) P-C4' energy: -126.175 flat angles C4'-P-C4' energy: -129.816 flat angles P-C4'-P energy: -81.119 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: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2221.666117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.666117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.666117 (E_RNA) where: Base-Base interactions energy: -1595.238 where: short stacking energy: -670.493 Base-Backbone interact. energy: -0.822 local terms energy: -625.606167 where: bonds (distance) C4'-P energy: -89.786 bonds (distance) P-C4' energy: -117.870 flat angles C4'-P-C4' energy: -131.343 flat angles P-C4'-P energy: -76.453 tors. eta vs tors. theta energy: -210.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1890.629407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.629407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.629407 (E_RNA) where: Base-Base interactions energy: -1323.367 where: short stacking energy: -541.016 Base-Backbone interact. energy: 0.007 local terms energy: -567.269467 where: bonds (distance) C4'-P energy: -109.492 bonds (distance) P-C4' energy: -114.336 flat angles C4'-P-C4' energy: -118.343 flat angles P-C4'-P energy: -81.171 tors. eta vs tors. theta energy: -143.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1323.789549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.789549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.789549 (E_RNA) where: Base-Base interactions energy: -884.985 where: short stacking energy: -406.704 Base-Backbone interact. energy: -0.024 local terms energy: -438.780714 where: bonds (distance) C4'-P energy: -103.137 bonds (distance) P-C4' energy: -100.978 flat angles C4'-P-C4' energy: -109.606 flat angles P-C4'-P energy: -56.856 tors. eta vs tors. theta energy: -68.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -916.157339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.157339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.157339 (E_RNA) where: Base-Base interactions energy: -571.365 where: short stacking energy: -271.048 Base-Backbone interact. energy: 8.586 local terms energy: -353.377795 where: bonds (distance) C4'-P energy: -109.891 bonds (distance) P-C4' energy: -100.560 flat angles C4'-P-C4' energy: -79.042 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -20.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2667.695887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.695887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.695887 (E_RNA) where: Base-Base interactions energy: -1903.218 where: short stacking energy: -775.570 Base-Backbone interact. energy: -2.193 local terms energy: -762.285110 where: bonds (distance) C4'-P energy: -119.688 bonds (distance) P-C4' energy: -137.722 flat angles C4'-P-C4' energy: -165.383 flat angles P-C4'-P energy: -104.592 tors. eta vs tors. theta energy: -234.900 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: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2571.802857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.802857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.802857 (E_RNA) where: Base-Base interactions energy: -1814.797 where: short stacking energy: -756.264 Base-Backbone interact. energy: 4.764 local terms energy: -761.769737 where: bonds (distance) C4'-P energy: -120.801 bonds (distance) P-C4' energy: -140.649 flat angles C4'-P-C4' energy: -145.691 flat angles P-C4'-P energy: -116.723 tors. eta vs tors. theta energy: -237.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2587.217863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.217863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.217863 (E_RNA) where: Base-Base interactions energy: -1831.174 where: short stacking energy: -742.255 Base-Backbone interact. energy: -2.016 local terms energy: -754.027375 where: bonds (distance) C4'-P energy: -122.836 bonds (distance) P-C4' energy: -139.039 flat angles C4'-P-C4' energy: -155.410 flat angles P-C4'-P energy: -105.707 tors. eta vs tors. theta energy: -231.036 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: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2465.066656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.066656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.066656 (E_RNA) where: Base-Base interactions energy: -1744.144 where: short stacking energy: -708.215 Base-Backbone interact. energy: -1.541 local terms energy: -719.381495 where: bonds (distance) C4'-P energy: -109.867 bonds (distance) P-C4' energy: -141.945 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -100.928 tors. eta vs tors. theta energy: -224.378 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: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2324.830377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.830377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.830377 (E_RNA) where: Base-Base interactions energy: -1695.204 where: short stacking energy: -680.944 Base-Backbone interact. energy: -0.912 local terms energy: -628.715151 where: bonds (distance) C4'-P energy: -108.072 bonds (distance) P-C4' energy: -118.353 flat angles C4'-P-C4' energy: -131.066 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: -210.168 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: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2291.658478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.658478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.658478 (E_RNA) where: Base-Base interactions energy: -1639.708 where: short stacking energy: -660.875 Base-Backbone interact. energy: -1.769 local terms energy: -650.180591 where: bonds (distance) C4'-P energy: -113.320 bonds (distance) P-C4' energy: -111.428 flat angles C4'-P-C4' energy: -126.712 flat angles P-C4'-P energy: -93.762 tors. eta vs tors. theta energy: -204.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2314.141360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.141360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.141360 (E_RNA) where: Base-Base interactions energy: -1640.762 where: short stacking energy: -662.497 Base-Backbone interact. energy: -3.042 local terms energy: -670.337123 where: bonds (distance) C4'-P energy: -109.993 bonds (distance) P-C4' energy: -115.663 flat angles C4'-P-C4' energy: -149.820 flat angles P-C4'-P energy: -87.712 tors. eta vs tors. theta energy: -207.149 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: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1936.693000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.693000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.693000 (E_RNA) where: Base-Base interactions energy: -1342.937 where: short stacking energy: -545.075 Base-Backbone interact. energy: -4.142 local terms energy: -589.614239 where: bonds (distance) C4'-P energy: -111.504 bonds (distance) P-C4' energy: -133.462 flat angles C4'-P-C4' energy: -126.965 flat angles P-C4'-P energy: -67.620 tors. eta vs tors. theta energy: -150.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1300.240001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.240001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.240001 (E_RNA) where: Base-Base interactions energy: -824.780 where: short stacking energy: -367.190 Base-Backbone interact. energy: -2.948 local terms energy: -472.511820 where: bonds (distance) C4'-P energy: -102.055 bonds (distance) P-C4' energy: -111.237 flat angles C4'-P-C4' energy: -116.947 flat angles P-C4'-P energy: -76.212 tors. eta vs tors. theta energy: -66.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -939.991222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.991222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.991222 (E_RNA) where: Base-Base interactions energy: -555.862 where: short stacking energy: -271.336 Base-Backbone interact. energy: -0.307 local terms energy: -383.821668 where: bonds (distance) C4'-P energy: -111.314 bonds (distance) P-C4' energy: -91.998 flat angles C4'-P-C4' energy: -88.748 flat angles P-C4'-P energy: -66.962 tors. eta vs tors. theta energy: -24.800 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: 219 Temperature: 0.900000 Total energy: -2676.207699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.207699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.207699 (E_RNA) where: Base-Base interactions energy: -1889.793 where: short stacking energy: -760.668 Base-Backbone interact. energy: -2.082 local terms energy: -784.333051 where: bonds (distance) C4'-P energy: -148.492 bonds (distance) P-C4' energy: -136.284 flat angles C4'-P-C4' energy: -157.433 flat angles P-C4'-P energy: -113.434 tors. eta vs tors. theta energy: -228.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2594.868707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.868707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.868707 (E_RNA) where: Base-Base interactions energy: -1829.537 where: short stacking energy: -765.491 Base-Backbone interact. energy: 1.198 local terms energy: -766.530218 where: bonds (distance) C4'-P energy: -138.491 bonds (distance) P-C4' energy: -135.311 flat angles C4'-P-C4' energy: -155.818 flat angles P-C4'-P energy: -101.656 tors. eta vs tors. theta energy: -235.254 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: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2600.801884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.801884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.801884 (E_RNA) where: Base-Base interactions energy: -1858.861 where: short stacking energy: -754.300 Base-Backbone interact. energy: -4.204 local terms energy: -737.737169 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -132.560 flat angles C4'-P-C4' energy: -145.019 flat angles P-C4'-P energy: -111.045 tors. eta vs tors. theta energy: -225.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2476.742225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.742225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.742225 (E_RNA) where: Base-Base interactions energy: -1773.581 where: short stacking energy: -728.528 Base-Backbone interact. energy: -4.235 local terms energy: -698.926160 where: bonds (distance) C4'-P energy: -113.181 bonds (distance) P-C4' energy: -113.074 flat angles C4'-P-C4' energy: -150.894 flat angles P-C4'-P energy: -98.952 tors. eta vs tors. theta energy: -222.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2327.480653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.480653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.480653 (E_RNA) where: Base-Base interactions energy: -1672.482 where: short stacking energy: -662.227 Base-Backbone interact. energy: 0.534 local terms energy: -655.532741 where: bonds (distance) C4'-P energy: -111.218 bonds (distance) P-C4' energy: -119.514 flat angles C4'-P-C4' energy: -140.215 flat angles P-C4'-P energy: -90.217 tors. eta vs tors. theta energy: -194.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2353.421781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.421781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.421781 (E_RNA) where: Base-Base interactions energy: -1666.061 where: short stacking energy: -689.453 Base-Backbone interact. energy: -0.384 local terms energy: -686.976070 where: bonds (distance) C4'-P energy: -119.570 bonds (distance) P-C4' energy: -113.337 flat angles C4'-P-C4' energy: -145.402 flat angles P-C4'-P energy: -93.886 tors. eta vs tors. theta energy: -214.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2267.115039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.115039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.115039 (E_RNA) where: Base-Base interactions energy: -1610.092 where: short stacking energy: -646.688 Base-Backbone interact. energy: 5.288 local terms energy: -662.311128 where: bonds (distance) C4'-P energy: -103.609 bonds (distance) P-C4' energy: -121.009 flat angles C4'-P-C4' energy: -128.950 flat angles P-C4'-P energy: -100.815 tors. eta vs tors. theta energy: -207.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1965.415705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.415705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.415705 (E_RNA) where: Base-Base interactions energy: -1364.571 where: short stacking energy: -556.685 Base-Backbone interact. energy: -1.844 local terms energy: -599.000325 where: bonds (distance) C4'-P energy: -108.119 bonds (distance) P-C4' energy: -104.914 flat angles C4'-P-C4' energy: -135.517 flat angles P-C4'-P energy: -87.910 tors. eta vs tors. theta energy: -162.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1258.941013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.941013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.941013 (E_RNA) where: Base-Base interactions energy: -817.311 where: short stacking energy: -350.340 Base-Backbone interact. energy: 1.116 local terms energy: -442.746003 where: bonds (distance) C4'-P energy: -114.363 bonds (distance) P-C4' energy: -100.593 flat angles C4'-P-C4' energy: -117.074 flat angles P-C4'-P energy: -55.187 tors. eta vs tors. theta energy: -55.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -898.539348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.539348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.539348 (E_RNA) where: Base-Base interactions energy: -470.619 where: short stacking energy: -228.889 Base-Backbone interact. energy: -1.616 local terms energy: -426.304871 where: bonds (distance) C4'-P energy: -115.869 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -104.259 flat angles P-C4'-P energy: -70.684 tors. eta vs tors. theta energy: -27.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2660.991979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.991979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.991979 (E_RNA) where: Base-Base interactions energy: -1874.216 where: short stacking energy: -752.871 Base-Backbone interact. energy: -0.410 local terms energy: -786.365933 where: bonds (distance) C4'-P energy: -144.428 bonds (distance) P-C4' energy: -135.244 flat angles C4'-P-C4' energy: -162.813 flat angles P-C4'-P energy: -107.572 tors. eta vs tors. theta energy: -236.309 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: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2589.175355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.175355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.175355 (E_RNA) where: Base-Base interactions energy: -1842.706 where: short stacking energy: -751.723 Base-Backbone interact. energy: -1.968 local terms energy: -744.500990 where: bonds (distance) C4'-P energy: -129.606 bonds (distance) P-C4' energy: -135.229 flat angles C4'-P-C4' energy: -151.098 flat angles P-C4'-P energy: -104.256 tors. eta vs tors. theta energy: -224.312 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: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2559.912726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.912726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.912726 (E_RNA) where: Base-Base interactions energy: -1821.838 where: short stacking energy: -729.826 Base-Backbone interact. energy: 0.959 local terms energy: -739.033131 where: bonds (distance) C4'-P energy: -127.727 bonds (distance) P-C4' energy: -126.627 flat angles C4'-P-C4' energy: -155.790 flat angles P-C4'-P energy: -107.244 tors. eta vs tors. theta energy: -221.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2462.680819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.680819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.680819 (E_RNA) where: Base-Base interactions energy: -1756.997 where: short stacking energy: -712.320 Base-Backbone interact. energy: -0.977 local terms energy: -704.706650 where: bonds (distance) C4'-P energy: -110.929 bonds (distance) P-C4' energy: -108.708 flat angles C4'-P-C4' energy: -160.549 flat angles P-C4'-P energy: -96.113 tors. eta vs tors. theta energy: -228.408 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: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2379.557959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.557959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.557959 (E_RNA) where: Base-Base interactions energy: -1660.317 where: short stacking energy: -694.932 Base-Backbone interact. energy: -1.440 local terms energy: -717.800876 where: bonds (distance) C4'-P energy: -128.221 bonds (distance) P-C4' energy: -150.587 flat angles C4'-P-C4' energy: -143.332 flat angles P-C4'-P energy: -88.922 tors. eta vs tors. theta energy: -206.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2266.632053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.632053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.632053 (E_RNA) where: Base-Base interactions energy: -1577.495 where: short stacking energy: -650.798 Base-Backbone interact. energy: -0.979 local terms energy: -688.158198 where: bonds (distance) C4'-P energy: -130.513 bonds (distance) P-C4' energy: -114.050 flat angles C4'-P-C4' energy: -159.769 flat angles P-C4'-P energy: -90.904 tors. eta vs tors. theta energy: -192.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2175.048419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.048419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.048419 (E_RNA) where: Base-Base interactions energy: -1539.319 where: short stacking energy: -604.333 Base-Backbone interact. energy: -2.293 local terms energy: -633.435892 where: bonds (distance) C4'-P energy: -118.532 bonds (distance) P-C4' energy: -102.416 flat angles C4'-P-C4' energy: -140.452 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -182.106 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: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1958.883684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.883684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.883684 (E_RNA) where: Base-Base interactions energy: -1369.273 where: short stacking energy: -580.305 Base-Backbone interact. energy: -2.876 local terms energy: -586.734876 where: bonds (distance) C4'-P energy: -107.022 bonds (distance) P-C4' energy: -101.047 flat angles C4'-P-C4' energy: -130.100 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -166.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1271.917147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.917147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.917147 (E_RNA) where: Base-Base interactions energy: -809.632 where: short stacking energy: -362.314 Base-Backbone interact. energy: -2.936 local terms energy: -459.349164 where: bonds (distance) C4'-P energy: -101.611 bonds (distance) P-C4' energy: -110.563 flat angles C4'-P-C4' energy: -111.185 flat angles P-C4'-P energy: -67.845 tors. eta vs tors. theta energy: -68.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -923.771773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.771773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.771773 (E_RNA) where: Base-Base interactions energy: -537.770 where: short stacking energy: -253.453 Base-Backbone interact. energy: -3.873 local terms energy: -382.128985 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -104.689 flat angles C4'-P-C4' energy: -85.027 flat angles P-C4'-P energy: -60.511 tors. eta vs tors. theta energy: -23.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2674.950704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.950704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.950704 (E_RNA) where: Base-Base interactions energy: -1918.385 where: short stacking energy: -788.137 Base-Backbone interact. energy: -4.398 local terms energy: -752.168191 where: bonds (distance) C4'-P energy: -128.879 bonds (distance) P-C4' energy: -128.877 flat angles C4'-P-C4' energy: -157.282 flat angles P-C4'-P energy: -96.883 tors. eta vs tors. theta energy: -240.248 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: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2579.640130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.640130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.640130 (E_RNA) where: Base-Base interactions energy: -1820.290 where: short stacking energy: -762.715 Base-Backbone interact. energy: 0.469 local terms energy: -759.819239 where: bonds (distance) C4'-P energy: -138.170 bonds (distance) P-C4' energy: -133.699 flat angles C4'-P-C4' energy: -150.023 flat angles P-C4'-P energy: -108.508 tors. eta vs tors. theta energy: -229.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2558.679710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.679710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.679710 (E_RNA) where: Base-Base interactions energy: -1817.512 where: short stacking energy: -757.003 Base-Backbone interact. energy: -2.790 local terms energy: -738.378412 where: bonds (distance) C4'-P energy: -123.985 bonds (distance) P-C4' energy: -132.666 flat angles C4'-P-C4' energy: -150.770 flat angles P-C4'-P energy: -99.281 tors. eta vs tors. theta energy: -231.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2464.701529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.701529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.701529 (E_RNA) where: Base-Base interactions energy: -1743.954 where: short stacking energy: -719.648 Base-Backbone interact. energy: -0.837 local terms energy: -719.910389 where: bonds (distance) C4'-P energy: -119.205 bonds (distance) P-C4' energy: -136.999 flat angles C4'-P-C4' energy: -147.329 flat angles P-C4'-P energy: -95.004 tors. eta vs tors. theta energy: -221.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2391.127659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.127659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.127659 (E_RNA) where: Base-Base interactions energy: -1725.839 where: short stacking energy: -706.383 Base-Backbone interact. energy: -0.448 local terms energy: -664.841124 where: bonds (distance) C4'-P energy: -104.854 bonds (distance) P-C4' energy: -122.821 flat angles C4'-P-C4' energy: -147.176 flat angles P-C4'-P energy: -91.349 tors. eta vs tors. theta energy: -198.642 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: 221 Temperature: 1.150000 Total energy: -2270.187625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.187625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.187625 (E_RNA) where: Base-Base interactions energy: -1601.669 where: short stacking energy: -665.073 Base-Backbone interact. energy: -1.761 local terms energy: -666.757526 where: bonds (distance) C4'-P energy: -111.823 bonds (distance) P-C4' energy: -113.171 flat angles C4'-P-C4' energy: -150.242 flat angles P-C4'-P energy: -83.039 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: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2164.396635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.396635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.396635 (E_RNA) where: Base-Base interactions energy: -1503.183 where: short stacking energy: -613.624 Base-Backbone interact. energy: -2.680 local terms energy: -658.533524 where: bonds (distance) C4'-P energy: -107.363 bonds (distance) P-C4' energy: -132.769 flat angles C4'-P-C4' energy: -134.549 flat angles P-C4'-P energy: -98.618 tors. eta vs tors. theta energy: -185.235 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: 221 Temperature: 1.250000 Total energy: -1958.247901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.247901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.247901 (E_RNA) where: Base-Base interactions energy: -1376.804 where: short stacking energy: -568.676 Base-Backbone interact. energy: 1.441 local terms energy: -582.885184 where: bonds (distance) C4'-P energy: -98.966 bonds (distance) P-C4' energy: -94.150 flat angles C4'-P-C4' energy: -142.085 flat angles P-C4'-P energy: -79.651 tors. eta vs tors. theta energy: -168.032 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: 221 Temperature: 1.300000 Total energy: -1324.006134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.006134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.006134 (E_RNA) where: Base-Base interactions energy: -851.862 where: short stacking energy: -385.167 Base-Backbone interact. energy: 2.511 local terms energy: -474.654422 where: bonds (distance) C4'-P energy: -114.250 bonds (distance) P-C4' energy: -88.372 flat angles C4'-P-C4' energy: -131.489 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: -67.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -878.757641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.757641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.757641 (E_RNA) where: Base-Base interactions energy: -496.970 where: short stacking energy: -253.146 Base-Backbone interact. energy: 1.869 local terms energy: -383.655975 where: bonds (distance) C4'-P energy: -109.152 bonds (distance) P-C4' energy: -108.364 flat angles C4'-P-C4' energy: -105.394 flat angles P-C4'-P energy: -40.489 tors. eta vs tors. theta energy: -20.256 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: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2654.923863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.923863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.923863 (E_RNA) where: Base-Base interactions energy: -1891.618 where: short stacking energy: -768.519 Base-Backbone interact. energy: -1.199 local terms energy: -762.106220 where: bonds (distance) C4'-P energy: -147.156 bonds (distance) P-C4' energy: -125.612 flat angles C4'-P-C4' energy: -153.142 flat angles P-C4'-P energy: -100.867 tors. eta vs tors. theta energy: -235.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2580.268306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.268306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.268306 (E_RNA) where: Base-Base interactions energy: -1837.097 where: short stacking energy: -759.058 Base-Backbone interact. energy: -1.984 local terms energy: -741.187133 where: bonds (distance) C4'-P energy: -124.188 bonds (distance) P-C4' energy: -126.019 flat angles C4'-P-C4' energy: -149.706 flat angles P-C4'-P energy: -109.583 tors. eta vs tors. theta energy: -231.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2522.495602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.495602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.495602 (E_RNA) where: Base-Base interactions energy: -1782.258 where: short stacking energy: -707.848 Base-Backbone interact. energy: -2.069 local terms energy: -738.168867 where: bonds (distance) C4'-P energy: -124.884 bonds (distance) P-C4' energy: -131.496 flat angles C4'-P-C4' energy: -151.338 flat angles P-C4'-P energy: -112.682 tors. eta vs tors. theta energy: -217.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2431.514398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.514398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.514398 (E_RNA) where: Base-Base interactions energy: -1701.815 where: short stacking energy: -717.357 Base-Backbone interact. energy: 0.288 local terms energy: -729.987767 where: bonds (distance) C4'-P energy: -132.621 bonds (distance) P-C4' energy: -130.042 flat angles C4'-P-C4' energy: -141.393 flat angles P-C4'-P energy: -100.383 tors. eta vs tors. theta energy: -225.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2414.080997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.080997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.080997 (E_RNA) where: Base-Base interactions energy: -1717.319 where: short stacking energy: -700.596 Base-Backbone interact. energy: -1.474 local terms energy: -695.288153 where: bonds (distance) C4'-P energy: -112.530 bonds (distance) P-C4' energy: -124.819 flat angles C4'-P-C4' energy: -143.360 flat angles P-C4'-P energy: -91.988 tors. eta vs tors. theta energy: -222.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2236.113676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.113676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.113676 (E_RNA) where: Base-Base interactions energy: -1582.199 where: short stacking energy: -631.304 Base-Backbone interact. energy: -2.572 local terms energy: -651.343046 where: bonds (distance) C4'-P energy: -118.081 bonds (distance) P-C4' energy: -123.932 flat angles C4'-P-C4' energy: -132.553 flat angles P-C4'-P energy: -88.228 tors. eta vs tors. theta energy: -188.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2207.844742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.844742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.844742 (E_RNA) where: Base-Base interactions energy: -1579.061 where: short stacking energy: -651.603 Base-Backbone interact. energy: 4.570 local terms energy: -633.353293 where: bonds (distance) C4'-P energy: -101.341 bonds (distance) P-C4' energy: -107.896 flat angles C4'-P-C4' energy: -144.618 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -190.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1954.332102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.332102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.332102 (E_RNA) where: Base-Base interactions energy: -1375.029 where: short stacking energy: -572.920 Base-Backbone interact. energy: -1.396 local terms energy: -577.906450 where: bonds (distance) C4'-P energy: -106.386 bonds (distance) P-C4' energy: -94.373 flat angles C4'-P-C4' energy: -136.953 flat angles P-C4'-P energy: -86.590 tors. eta vs tors. theta energy: -153.604 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: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1305.634603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.634603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.634603 (E_RNA) where: Base-Base interactions energy: -845.739 where: short stacking energy: -388.852 Base-Backbone interact. energy: -1.789 local terms energy: -458.106563 where: bonds (distance) C4'-P energy: -92.149 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -119.661 flat angles P-C4'-P energy: -65.962 tors. eta vs tors. theta energy: -75.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -896.782257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.782257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.782257 (E_RNA) where: Base-Base interactions energy: -509.411 where: short stacking energy: -269.401 Base-Backbone interact. energy: 2.202 local terms energy: -389.573585 where: bonds (distance) C4'-P energy: -105.259 bonds (distance) P-C4' energy: -111.901 flat angles C4'-P-C4' energy: -88.008 flat angles P-C4'-P energy: -61.087 tors. eta vs tors. theta energy: -23.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2660.709358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.709358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.709358 (E_RNA) where: Base-Base interactions energy: -1902.817 where: short stacking energy: -760.912 Base-Backbone interact. energy: -0.583 local terms energy: -757.308927 where: bonds (distance) C4'-P energy: -140.994 bonds (distance) P-C4' energy: -126.908 flat angles C4'-P-C4' energy: -152.818 flat angles P-C4'-P energy: -104.556 tors. eta vs tors. theta energy: -232.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2595.672404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.672404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.672404 (E_RNA) where: Base-Base interactions energy: -1841.394 where: short stacking energy: -754.416 Base-Backbone interact. energy: -3.489 local terms energy: -750.789229 where: bonds (distance) C4'-P energy: -131.905 bonds (distance) P-C4' energy: -124.257 flat angles C4'-P-C4' energy: -153.574 flat angles P-C4'-P energy: -106.082 tors. eta vs tors. theta energy: -234.971 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: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2508.650747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.650747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.650747 (E_RNA) where: Base-Base interactions energy: -1803.957 where: short stacking energy: -744.424 Base-Backbone interact. energy: -0.148 local terms energy: -704.544858 where: bonds (distance) C4'-P energy: -125.080 bonds (distance) P-C4' energy: -117.465 flat angles C4'-P-C4' energy: -135.259 flat angles P-C4'-P energy: -106.837 tors. eta vs tors. theta energy: -219.904 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: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2455.545981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.545981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.545981 (E_RNA) where: Base-Base interactions energy: -1734.249 where: short stacking energy: -726.887 Base-Backbone interact. energy: -1.595 local terms energy: -719.702901 where: bonds (distance) C4'-P energy: -124.529 bonds (distance) P-C4' energy: -131.033 flat angles C4'-P-C4' energy: -138.427 flat angles P-C4'-P energy: -98.474 tors. eta vs tors. theta energy: -227.240 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: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2409.127515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.127515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.127515 (E_RNA) where: Base-Base interactions energy: -1705.424 where: short stacking energy: -703.718 Base-Backbone interact. energy: -1.670 local terms energy: -702.033907 where: bonds (distance) C4'-P energy: -124.227 bonds (distance) P-C4' energy: -115.149 flat angles C4'-P-C4' energy: -155.145 flat angles P-C4'-P energy: -92.217 tors. eta vs tors. theta energy: -215.297 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: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2290.732444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.732444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.732444 (E_RNA) where: Base-Base interactions energy: -1652.010 where: short stacking energy: -677.652 Base-Backbone interact. energy: 4.412 local terms energy: -643.134374 where: bonds (distance) C4'-P energy: -107.138 bonds (distance) P-C4' energy: -101.035 flat angles C4'-P-C4' energy: -144.058 flat angles P-C4'-P energy: -87.563 tors. eta vs tors. theta energy: -203.339 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: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2191.710797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.710797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.710797 (E_RNA) where: Base-Base interactions energy: -1596.561 where: short stacking energy: -669.067 Base-Backbone interact. energy: 3.815 local terms energy: -598.964813 where: bonds (distance) C4'-P energy: -92.990 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -128.864 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -186.308 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: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1919.322556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.322556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.322556 (E_RNA) where: Base-Base interactions energy: -1312.135 where: short stacking energy: -537.023 Base-Backbone interact. energy: 0.984 local terms energy: -608.171213 where: bonds (distance) C4'-P energy: -111.366 bonds (distance) P-C4' energy: -103.940 flat angles C4'-P-C4' energy: -140.326 flat angles P-C4'-P energy: -90.508 tors. eta vs tors. theta energy: -162.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1415.883339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.883339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.883339 (E_RNA) where: Base-Base interactions energy: -952.096 where: short stacking energy: -420.695 Base-Backbone interact. energy: -1.528 local terms energy: -462.260184 where: bonds (distance) C4'-P energy: -75.012 bonds (distance) P-C4' energy: -107.476 flat angles C4'-P-C4' energy: -118.626 flat angles P-C4'-P energy: -72.145 tors. eta vs tors. theta energy: -89.002 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: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -939.842636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.842636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.842636 (E_RNA) where: Base-Base interactions energy: -524.503 where: short stacking energy: -249.384 Base-Backbone interact. energy: -1.368 local terms energy: -413.971706 where: bonds (distance) C4'-P energy: -115.008 bonds (distance) P-C4' energy: -128.849 flat angles C4'-P-C4' energy: -89.348 flat angles P-C4'-P energy: -68.257 tors. eta vs tors. theta energy: -12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2672.169257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.169257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.169257 (E_RNA) where: Base-Base interactions energy: -1909.686 where: short stacking energy: -776.470 Base-Backbone interact. energy: -3.157 local terms energy: -759.326886 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -127.942 flat angles C4'-P-C4' energy: -157.025 flat angles P-C4'-P energy: -103.291 tors. eta vs tors. theta energy: -234.480 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: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2576.698177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.698177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.698177 (E_RNA) where: Base-Base interactions energy: -1827.039 where: short stacking energy: -740.794 Base-Backbone interact. energy: -0.026 local terms energy: -749.633109 where: bonds (distance) C4'-P energy: -132.417 bonds (distance) P-C4' energy: -117.897 flat angles C4'-P-C4' energy: -158.426 flat angles P-C4'-P energy: -108.050 tors. eta vs tors. theta energy: -232.842 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: 3, replica: 9 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2562.206682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.206682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.206682 (E_RNA) where: Base-Base interactions energy: -1828.693 where: short stacking energy: -735.521 Base-Backbone interact. energy: 1.450 local terms energy: -734.963299 where: bonds (distance) C4'-P energy: -123.785 bonds (distance) P-C4' energy: -130.688 flat angles C4'-P-C4' energy: -152.192 flat angles P-C4'-P energy: -105.956 tors. eta vs tors. theta energy: -222.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2428.885798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.885798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.885798 (E_RNA) where: Base-Base interactions energy: -1734.434 where: short stacking energy: -688.735 Base-Backbone interact. energy: 0.406 local terms energy: -694.858005 where: bonds (distance) C4'-P energy: -106.709 bonds (distance) P-C4' energy: -124.340 flat angles C4'-P-C4' energy: -136.043 flat angles P-C4'-P energy: -103.955 tors. eta vs tors. theta energy: -223.811 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: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2366.257135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.257135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.257135 (E_RNA) where: Base-Base interactions energy: -1675.893 where: short stacking energy: -689.178 Base-Backbone interact. energy: -0.825 local terms energy: -689.538444 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -116.268 flat angles C4'-P-C4' energy: -141.381 flat angles P-C4'-P energy: -95.330 tors. eta vs tors. theta energy: -212.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2348.567450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.567450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.567450 (E_RNA) where: Base-Base interactions energy: -1674.085 where: short stacking energy: -671.178 Base-Backbone interact. energy: -1.698 local terms energy: -672.784419 where: bonds (distance) C4'-P energy: -109.128 bonds (distance) P-C4' energy: -105.615 flat angles C4'-P-C4' energy: -145.995 flat angles P-C4'-P energy: -102.825 tors. eta vs tors. theta energy: -209.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2175.248778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.248778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.248778 (E_RNA) where: Base-Base interactions energy: -1529.884 where: short stacking energy: -635.118 Base-Backbone interact. energy: -1.460 local terms energy: -643.904529 where: bonds (distance) C4'-P energy: -111.553 bonds (distance) P-C4' energy: -135.681 flat angles C4'-P-C4' energy: -136.484 flat angles P-C4'-P energy: -76.707 tors. eta vs tors. theta energy: -183.480 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: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1955.180862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.180862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.180862 (E_RNA) where: Base-Base interactions energy: -1335.042 where: short stacking energy: -551.026 Base-Backbone interact. energy: 1.419 local terms energy: -621.558007 where: bonds (distance) C4'-P energy: -128.192 bonds (distance) P-C4' energy: -127.433 flat angles C4'-P-C4' energy: -130.587 flat angles P-C4'-P energy: -80.071 tors. eta vs tors. theta energy: -155.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1385.193911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.193911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.193911 (E_RNA) where: Base-Base interactions energy: -916.910 where: short stacking energy: -390.301 Base-Backbone interact. energy: -2.187 local terms energy: -466.097627 where: bonds (distance) C4'-P energy: -108.094 bonds (distance) P-C4' energy: -111.021 flat angles C4'-P-C4' energy: -114.292 flat angles P-C4'-P energy: -61.348 tors. eta vs tors. theta energy: -71.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -945.714988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.714988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.714988 (E_RNA) where: Base-Base interactions energy: -573.963 where: short stacking energy: -285.530 Base-Backbone interact. energy: 2.585 local terms energy: -374.336689 where: bonds (distance) C4'-P energy: -87.766 bonds (distance) P-C4' energy: -118.015 flat angles C4'-P-C4' energy: -86.126 flat angles P-C4'-P energy: -55.396 tors. eta vs tors. theta energy: -27.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2669.132137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.132137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.132137 (E_RNA) where: Base-Base interactions energy: -1897.657 where: short stacking energy: -778.044 Base-Backbone interact. energy: -0.469 local terms energy: -771.006034 where: bonds (distance) C4'-P energy: -134.023 bonds (distance) P-C4' energy: -132.498 flat angles C4'-P-C4' energy: -159.889 flat angles P-C4'-P energy: -104.963 tors. eta vs tors. theta energy: -239.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2586.764875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.764875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.764875 (E_RNA) where: Base-Base interactions energy: -1833.673 where: short stacking energy: -746.560 Base-Backbone interact. energy: -0.541 local terms energy: -752.550780 where: bonds (distance) C4'-P energy: -130.709 bonds (distance) P-C4' energy: -136.391 flat angles C4'-P-C4' energy: -152.378 flat angles P-C4'-P energy: -111.209 tors. eta vs tors. theta energy: -221.863 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: 3, replica: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2540.241897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.241897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.241897 (E_RNA) where: Base-Base interactions energy: -1811.187 where: short stacking energy: -721.609 Base-Backbone interact. energy: 0.325 local terms energy: -729.379122 where: bonds (distance) C4'-P energy: -131.677 bonds (distance) P-C4' energy: -133.970 flat angles C4'-P-C4' energy: -139.163 flat angles P-C4'-P energy: -101.256 tors. eta vs tors. theta energy: -223.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2412.824740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.824740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.824740 (E_RNA) where: Base-Base interactions energy: -1713.743 where: short stacking energy: -716.036 Base-Backbone interact. energy: 1.762 local terms energy: -700.843332 where: bonds (distance) C4'-P energy: -135.603 bonds (distance) P-C4' energy: -105.565 flat angles C4'-P-C4' energy: -142.784 flat angles P-C4'-P energy: -95.211 tors. eta vs tors. theta energy: -221.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2401.059460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.059460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.059460 (E_RNA) where: Base-Base interactions energy: -1707.303 where: short stacking energy: -679.566 Base-Backbone interact. energy: -2.954 local terms energy: -690.802531 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -109.916 flat angles C4'-P-C4' energy: -150.642 flat angles P-C4'-P energy: -100.876 tors. eta vs tors. theta energy: -207.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2359.962353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.962353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.962353 (E_RNA) where: Base-Base interactions energy: -1690.640 where: short stacking energy: -679.969 Base-Backbone interact. energy: -2.298 local terms energy: -667.024314 where: bonds (distance) C4'-P energy: -101.132 bonds (distance) P-C4' energy: -120.549 flat angles C4'-P-C4' energy: -137.643 flat angles P-C4'-P energy: -93.926 tors. eta vs tors. theta energy: -213.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2178.614238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.614238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.614238 (E_RNA) where: Base-Base interactions energy: -1540.557 where: short stacking energy: -646.316 Base-Backbone interact. energy: -0.621 local terms energy: -637.436415 where: bonds (distance) C4'-P energy: -108.295 bonds (distance) P-C4' energy: -117.720 flat angles C4'-P-C4' energy: -126.009 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -193.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1951.235923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.235923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.235923 (E_RNA) where: Base-Base interactions energy: -1382.506 where: short stacking energy: -547.829 Base-Backbone interact. energy: -1.805 local terms energy: -566.924959 where: bonds (distance) C4'-P energy: -109.541 bonds (distance) P-C4' energy: -104.443 flat angles C4'-P-C4' energy: -139.772 flat angles P-C4'-P energy: -70.668 tors. eta vs tors. theta energy: -142.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1367.465724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.465724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.465724 (E_RNA) where: Base-Base interactions energy: -894.180 where: short stacking energy: -377.667 Base-Backbone interact. energy: -0.539 local terms energy: -472.746862 where: bonds (distance) C4'-P energy: -108.489 bonds (distance) P-C4' energy: -108.313 flat angles C4'-P-C4' energy: -119.354 flat angles P-C4'-P energy: -63.423 tors. eta vs tors. theta energy: -73.168 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: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -969.045892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.045892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.045892 (E_RNA) where: Base-Base interactions energy: -605.315 where: short stacking energy: -266.204 Base-Backbone interact. energy: -0.728 local terms energy: -363.002785 where: bonds (distance) C4'-P energy: -94.345 bonds (distance) P-C4' energy: -100.041 flat angles C4'-P-C4' energy: -105.506 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -18.141 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: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2662.126799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.126799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.126799 (E_RNA) where: Base-Base interactions energy: -1871.717 where: short stacking energy: -762.635 Base-Backbone interact. energy: -3.622 local terms energy: -786.787880 where: bonds (distance) C4'-P energy: -141.865 bonds (distance) P-C4' energy: -129.803 flat angles C4'-P-C4' energy: -162.804 flat angles P-C4'-P energy: -123.477 tors. eta vs tors. theta energy: -228.839 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: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2614.916061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.916061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.916061 (E_RNA) where: Base-Base interactions energy: -1868.286 where: short stacking energy: -773.188 Base-Backbone interact. energy: -1.417 local terms energy: -745.212830 where: bonds (distance) C4'-P energy: -135.296 bonds (distance) P-C4' energy: -124.173 flat angles C4'-P-C4' energy: -151.331 flat angles P-C4'-P energy: -95.820 tors. eta vs tors. theta energy: -238.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2521.501354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.501354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.501354 (E_RNA) where: Base-Base interactions energy: -1786.074 where: short stacking energy: -742.922 Base-Backbone interact. energy: -1.264 local terms energy: -734.163575 where: bonds (distance) C4'-P energy: -129.758 bonds (distance) P-C4' energy: -138.573 flat angles C4'-P-C4' energy: -138.572 flat angles P-C4'-P energy: -103.147 tors. eta vs tors. theta energy: -224.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2397.841934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.841934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.841934 (E_RNA) where: Base-Base interactions energy: -1692.843 where: short stacking energy: -704.448 Base-Backbone interact. energy: -0.281 local terms energy: -704.718057 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -130.972 flat angles C4'-P-C4' energy: -151.300 flat angles P-C4'-P energy: -77.586 tors. eta vs tors. theta energy: -213.708 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: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2385.869652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.869652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.869652 (E_RNA) where: Base-Base interactions energy: -1716.206 where: short stacking energy: -685.947 Base-Backbone interact. energy: -1.190 local terms energy: -668.473333 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -111.901 flat angles C4'-P-C4' energy: -142.285 flat angles P-C4'-P energy: -107.946 tors. eta vs tors. theta energy: -196.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2347.669027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.669027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.669027 (E_RNA) where: Base-Base interactions energy: -1679.425 where: short stacking energy: -686.489 Base-Backbone interact. energy: 3.055 local terms energy: -671.299828 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -105.804 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -75.020 tors. eta vs tors. theta energy: -216.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2233.318191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.318191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.318191 (E_RNA) where: Base-Base interactions energy: -1557.880 where: short stacking energy: -648.258 Base-Backbone interact. energy: 0.197 local terms energy: -675.635108 where: bonds (distance) C4'-P energy: -116.832 bonds (distance) P-C4' energy: -103.344 flat angles C4'-P-C4' energy: -152.881 flat angles P-C4'-P energy: -92.394 tors. eta vs tors. theta energy: -210.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1914.440409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.440409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.440409 (E_RNA) where: Base-Base interactions energy: -1335.366 where: short stacking energy: -553.860 Base-Backbone interact. energy: -1.074 local terms energy: -577.999890 where: bonds (distance) C4'-P energy: -100.086 bonds (distance) P-C4' energy: -119.687 flat angles C4'-P-C4' energy: -127.840 flat angles P-C4'-P energy: -87.940 tors. eta vs tors. theta energy: -142.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1475.102053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.102053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.102053 (E_RNA) where: Base-Base interactions energy: -978.516 where: short stacking energy: -431.785 Base-Backbone interact. energy: 2.320 local terms energy: -498.905372 where: bonds (distance) C4'-P energy: -103.525 bonds (distance) P-C4' energy: -116.444 flat angles C4'-P-C4' energy: -112.034 flat angles P-C4'-P energy: -74.777 tors. eta vs tors. theta energy: -92.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -935.366712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.366712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.366712 (E_RNA) where: Base-Base interactions energy: -535.056 where: short stacking energy: -275.943 Base-Backbone interact. energy: 3.449 local terms energy: -403.759637 where: bonds (distance) C4'-P energy: -95.306 bonds (distance) P-C4' energy: -115.557 flat angles C4'-P-C4' energy: -102.056 flat angles P-C4'-P energy: -57.068 tors. eta vs tors. theta energy: -33.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2670.901794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.901794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.901794 (E_RNA) where: Base-Base interactions energy: -1900.189 where: short stacking energy: -778.068 Base-Backbone interact. energy: -2.845 local terms energy: -767.867713 where: bonds (distance) C4'-P energy: -136.408 bonds (distance) P-C4' energy: -144.213 flat angles C4'-P-C4' energy: -158.289 flat angles P-C4'-P energy: -105.099 tors. eta vs tors. theta energy: -223.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2601.404217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.404217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.404217 (E_RNA) where: Base-Base interactions energy: -1831.120 where: short stacking energy: -742.129 Base-Backbone interact. energy: -1.106 local terms energy: -769.178006 where: bonds (distance) C4'-P energy: -138.946 bonds (distance) P-C4' energy: -124.696 flat angles C4'-P-C4' energy: -159.344 flat angles P-C4'-P energy: -106.979 tors. eta vs tors. theta energy: -239.213 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: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2541.224966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.224966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.224966 (E_RNA) where: Base-Base interactions energy: -1794.712 where: short stacking energy: -732.849 Base-Backbone interact. energy: 0.522 local terms energy: -747.034631 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -127.414 flat angles C4'-P-C4' energy: -160.084 flat angles P-C4'-P energy: -103.575 tors. eta vs tors. theta energy: -230.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2446.573521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.573521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.573521 (E_RNA) where: Base-Base interactions energy: -1755.908 where: short stacking energy: -699.644 Base-Backbone interact. energy: -1.505 local terms energy: -689.159971 where: bonds (distance) C4'-P energy: -110.870 bonds (distance) P-C4' energy: -125.450 flat angles C4'-P-C4' energy: -150.181 flat angles P-C4'-P energy: -90.274 tors. eta vs tors. theta energy: -212.385 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: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2363.970285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.970285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.970285 (E_RNA) where: Base-Base interactions energy: -1666.014 where: short stacking energy: -676.015 Base-Backbone interact. energy: -1.429 local terms energy: -696.527463 where: bonds (distance) C4'-P energy: -121.237 bonds (distance) P-C4' energy: -132.397 flat angles C4'-P-C4' energy: -147.700 flat angles P-C4'-P energy: -88.736 tors. eta vs tors. theta energy: -206.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2340.114774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.114774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.114774 (E_RNA) where: Base-Base interactions energy: -1656.761 where: short stacking energy: -675.864 Base-Backbone interact. energy: 3.344 local terms energy: -686.697465 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -117.088 flat angles C4'-P-C4' energy: -144.778 flat angles P-C4'-P energy: -91.955 tors. eta vs tors. theta energy: -214.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2253.487680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.487680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.487680 (E_RNA) where: Base-Base interactions energy: -1623.174 where: short stacking energy: -673.618 Base-Backbone interact. energy: 1.851 local terms energy: -632.165290 where: bonds (distance) C4'-P energy: -110.308 bonds (distance) P-C4' energy: -107.565 flat angles C4'-P-C4' energy: -128.448 flat angles P-C4'-P energy: -85.706 tors. eta vs tors. theta energy: -200.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1971.436984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.436984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.436984 (E_RNA) where: Base-Base interactions energy: -1408.397 where: short stacking energy: -575.593 Base-Backbone interact. energy: 0.117 local terms energy: -563.156222 where: bonds (distance) C4'-P energy: -96.720 bonds (distance) P-C4' energy: -100.709 flat angles C4'-P-C4' energy: -128.933 flat angles P-C4'-P energy: -69.359 tors. eta vs tors. theta energy: -167.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1526.986199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.986199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.986199 (E_RNA) where: Base-Base interactions energy: -1057.860 where: short stacking energy: -439.178 Base-Backbone interact. energy: 0.317 local terms energy: -469.443500 where: bonds (distance) C4'-P energy: -100.903 bonds (distance) P-C4' energy: -119.213 flat angles C4'-P-C4' energy: -98.661 flat angles P-C4'-P energy: -68.200 tors. eta vs tors. theta energy: -82.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -863.548165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.548165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.548165 (E_RNA) where: Base-Base interactions energy: -506.494 where: short stacking energy: -243.774 Base-Backbone interact. energy: 5.690 local terms energy: -362.743896 where: bonds (distance) C4'-P energy: -104.744 bonds (distance) P-C4' energy: -93.307 flat angles C4'-P-C4' energy: -80.178 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -27.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2662.583208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.583208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.583208 (E_RNA) where: Base-Base interactions energy: -1874.712 where: short stacking energy: -772.322 Base-Backbone interact. energy: -1.770 local terms energy: -786.101352 where: bonds (distance) C4'-P energy: -124.526 bonds (distance) P-C4' energy: -134.178 flat angles C4'-P-C4' energy: -168.581 flat angles P-C4'-P energy: -119.117 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: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2602.336209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.336209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.336209 (E_RNA) where: Base-Base interactions energy: -1862.711 where: short stacking energy: -745.872 Base-Backbone interact. energy: -1.834 local terms energy: -737.791204 where: bonds (distance) C4'-P energy: -116.559 bonds (distance) P-C4' energy: -135.003 flat angles C4'-P-C4' energy: -157.436 flat angles P-C4'-P energy: -99.580 tors. eta vs tors. theta energy: -229.213 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: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2550.211793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.211793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.211793 (E_RNA) where: Base-Base interactions energy: -1799.364 where: short stacking energy: -750.143 Base-Backbone interact. energy: -0.949 local terms energy: -749.898899 where: bonds (distance) C4'-P energy: -136.336 bonds (distance) P-C4' energy: -141.319 flat angles C4'-P-C4' energy: -150.069 flat angles P-C4'-P energy: -96.201 tors. eta vs tors. theta energy: -225.975 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: 228 Temperature: 1.050000 Total energy: -2445.940632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.940632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.940632 (E_RNA) where: Base-Base interactions energy: -1743.706 where: short stacking energy: -702.307 Base-Backbone interact. energy: -1.237 local terms energy: -700.997764 where: bonds (distance) C4'-P energy: -123.070 bonds (distance) P-C4' energy: -119.947 flat angles C4'-P-C4' energy: -141.134 flat angles P-C4'-P energy: -104.896 tors. eta vs tors. theta energy: -211.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2407.934207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.934207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.934207 (E_RNA) where: Base-Base interactions energy: -1722.971 where: short stacking energy: -706.401 Base-Backbone interact. energy: -0.801 local terms energy: -684.162966 where: bonds (distance) C4'-P energy: -104.502 bonds (distance) P-C4' energy: -112.436 flat angles C4'-P-C4' energy: -145.531 flat angles P-C4'-P energy: -98.632 tors. eta vs tors. theta energy: -223.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2295.295641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.295641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.295641 (E_RNA) where: Base-Base interactions energy: -1624.417 where: short stacking energy: -679.969 Base-Backbone interact. energy: -1.179 local terms energy: -669.699612 where: bonds (distance) C4'-P energy: -111.708 bonds (distance) P-C4' energy: -124.704 flat angles C4'-P-C4' energy: -129.258 flat angles P-C4'-P energy: -89.147 tors. eta vs tors. theta energy: -214.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2229.410091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.410091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.410091 (E_RNA) where: Base-Base interactions energy: -1593.840 where: short stacking energy: -652.556 Base-Backbone interact. energy: -0.444 local terms energy: -635.126279 where: bonds (distance) C4'-P energy: -107.376 bonds (distance) P-C4' energy: -117.723 flat angles C4'-P-C4' energy: -137.385 flat angles P-C4'-P energy: -82.336 tors. eta vs tors. theta energy: -190.306 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: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1931.450010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.450010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.450010 (E_RNA) where: Base-Base interactions energy: -1351.500 where: short stacking energy: -527.658 Base-Backbone interact. energy: -1.720 local terms energy: -578.230160 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -123.030 flat angles C4'-P-C4' energy: -115.625 flat angles P-C4'-P energy: -71.649 tors. eta vs tors. theta energy: -158.203 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: 228 Temperature: 1.300000 Total energy: -1597.622663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.622663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.622663 (E_RNA) where: Base-Base interactions energy: -1084.899 where: short stacking energy: -467.430 Base-Backbone interact. energy: 2.096 local terms energy: -514.820115 where: bonds (distance) C4'-P energy: -105.518 bonds (distance) P-C4' energy: -105.090 flat angles C4'-P-C4' energy: -127.247 flat angles P-C4'-P energy: -66.263 tors. eta vs tors. theta energy: -110.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -933.688308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.688308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.688308 (E_RNA) where: Base-Base interactions energy: -525.015 where: short stacking energy: -272.974 Base-Backbone interact. energy: 8.290 local terms energy: -416.962946 where: bonds (distance) C4'-P energy: -119.786 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -85.463 flat angles P-C4'-P energy: -61.615 tors. eta vs tors. theta energy: -28.754 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: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2639.222122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.222122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.222122 (E_RNA) where: Base-Base interactions energy: -1856.507 where: short stacking energy: -765.089 Base-Backbone interact. energy: -1.878 local terms energy: -780.836485 where: bonds (distance) C4'-P energy: -137.852 bonds (distance) P-C4' energy: -135.927 flat angles C4'-P-C4' energy: -157.337 flat angles P-C4'-P energy: -107.293 tors. eta vs tors. theta energy: -242.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2603.301697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.301697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.301697 (E_RNA) where: Base-Base interactions energy: -1847.700 where: short stacking energy: -740.842 Base-Backbone interact. energy: -3.428 local terms energy: -752.172856 where: bonds (distance) C4'-P energy: -131.880 bonds (distance) P-C4' energy: -141.165 flat angles C4'-P-C4' energy: -158.244 flat angles P-C4'-P energy: -95.664 tors. eta vs tors. theta energy: -225.220 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: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2526.320275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.320275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.320275 (E_RNA) where: Base-Base interactions energy: -1812.475 where: short stacking energy: -733.057 Base-Backbone interact. energy: -1.677 local terms energy: -712.168645 where: bonds (distance) C4'-P energy: -119.584 bonds (distance) P-C4' energy: -126.351 flat angles C4'-P-C4' energy: -152.536 flat angles P-C4'-P energy: -88.213 tors. eta vs tors. theta energy: -225.484 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: 229 Temperature: 1.050000 Total energy: -2419.285093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.285093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.285093 (E_RNA) where: Base-Base interactions energy: -1688.454 where: short stacking energy: -701.475 Base-Backbone interact. energy: -2.791 local terms energy: -728.040131 where: bonds (distance) C4'-P energy: -125.085 bonds (distance) P-C4' energy: -136.619 flat angles C4'-P-C4' energy: -147.653 flat angles P-C4'-P energy: -101.045 tors. eta vs tors. theta energy: -217.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2383.308892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.308892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.308892 (E_RNA) where: Base-Base interactions energy: -1666.854 where: short stacking energy: -704.266 Base-Backbone interact. energy: -1.420 local terms energy: -715.034699 where: bonds (distance) C4'-P energy: -119.799 bonds (distance) P-C4' energy: -116.303 flat angles C4'-P-C4' energy: -147.793 flat angles P-C4'-P energy: -111.327 tors. eta vs tors. theta energy: -219.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2296.958279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.958279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.958279 (E_RNA) where: Base-Base interactions energy: -1638.479 where: short stacking energy: -682.232 Base-Backbone interact. energy: 0.111 local terms energy: -658.590569 where: bonds (distance) C4'-P energy: -110.166 bonds (distance) P-C4' energy: -120.526 flat angles C4'-P-C4' energy: -126.230 flat angles P-C4'-P energy: -89.381 tors. eta vs tors. theta energy: -212.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2179.444207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.444207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.444207 (E_RNA) where: Base-Base interactions energy: -1598.056 where: short stacking energy: -648.010 Base-Backbone interact. energy: -0.023 local terms energy: -581.365643 where: bonds (distance) C4'-P energy: -102.721 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -133.531 flat angles P-C4'-P energy: -64.740 tors. eta vs tors. theta energy: -181.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1931.775317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.775317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.775317 (E_RNA) where: Base-Base interactions energy: -1343.810 where: short stacking energy: -558.082 Base-Backbone interact. energy: -2.868 local terms energy: -585.098259 where: bonds (distance) C4'-P energy: -83.806 bonds (distance) P-C4' energy: -106.961 flat angles C4'-P-C4' energy: -136.656 flat angles P-C4'-P energy: -94.146 tors. eta vs tors. theta energy: -163.529 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: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1651.424401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.424401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.424401 (E_RNA) where: Base-Base interactions energy: -1117.248 where: short stacking energy: -469.367 Base-Backbone interact. energy: -2.136 local terms energy: -532.040611 where: bonds (distance) C4'-P energy: -101.322 bonds (distance) P-C4' energy: -120.736 flat angles C4'-P-C4' energy: -117.151 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -117.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -920.675643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.675643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.675643 (E_RNA) where: Base-Base interactions energy: -558.482 where: short stacking energy: -251.342 Base-Backbone interact. energy: 2.251 local terms energy: -364.444608 where: bonds (distance) C4'-P energy: -92.921 bonds (distance) P-C4' energy: -104.684 flat angles C4'-P-C4' energy: -91.272 flat angles P-C4'-P energy: -58.997 tors. eta vs tors. theta energy: -16.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2677.564113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.564113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.564113 (E_RNA) where: Base-Base interactions energy: -1907.872 where: short stacking energy: -762.738 Base-Backbone interact. energy: -3.334 local terms energy: -766.358284 where: bonds (distance) C4'-P energy: -136.125 bonds (distance) P-C4' energy: -133.878 flat angles C4'-P-C4' energy: -165.495 flat angles P-C4'-P energy: -96.978 tors. eta vs tors. theta energy: -233.881 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: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2586.506029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.506029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.506029 (E_RNA) where: Base-Base interactions energy: -1808.553 where: short stacking energy: -754.948 Base-Backbone interact. energy: -3.903 local terms energy: -774.049696 where: bonds (distance) C4'-P energy: -133.591 bonds (distance) P-C4' energy: -129.374 flat angles C4'-P-C4' energy: -157.772 flat angles P-C4'-P energy: -113.736 tors. eta vs tors. theta energy: -239.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2567.147667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.147667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.147667 (E_RNA) where: Base-Base interactions energy: -1855.056 where: short stacking energy: -745.609 Base-Backbone interact. energy: -1.944 local terms energy: -710.147523 where: bonds (distance) C4'-P energy: -103.283 bonds (distance) P-C4' energy: -119.330 flat angles C4'-P-C4' energy: -144.902 flat angles P-C4'-P energy: -119.708 tors. eta vs tors. theta energy: -222.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2432.429187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.429187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.429187 (E_RNA) where: Base-Base interactions energy: -1710.128 where: short stacking energy: -699.832 Base-Backbone interact. energy: 3.422 local terms energy: -725.723425 where: bonds (distance) C4'-P energy: -124.033 bonds (distance) P-C4' energy: -123.175 flat angles C4'-P-C4' energy: -155.170 flat angles P-C4'-P energy: -109.742 tors. eta vs tors. theta energy: -213.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2376.309222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.309222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.309222 (E_RNA) where: Base-Base interactions energy: -1679.628 where: short stacking energy: -704.648 Base-Backbone interact. energy: -0.080 local terms energy: -696.601233 where: bonds (distance) C4'-P energy: -116.898 bonds (distance) P-C4' energy: -127.711 flat angles C4'-P-C4' energy: -130.675 flat angles P-C4'-P energy: -106.749 tors. eta vs tors. theta energy: -214.569 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: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2322.020999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.020999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.020999 (E_RNA) where: Base-Base interactions energy: -1698.070 where: short stacking energy: -671.551 Base-Backbone interact. energy: 3.451 local terms energy: -627.402036 where: bonds (distance) C4'-P energy: -87.932 bonds (distance) P-C4' energy: -105.464 flat angles C4'-P-C4' energy: -135.448 flat angles P-C4'-P energy: -96.320 tors. eta vs tors. theta energy: -202.237 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: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2172.171313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.171313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.171313 (E_RNA) where: Base-Base interactions energy: -1555.168 where: short stacking energy: -626.449 Base-Backbone interact. energy: 3.094 local terms energy: -620.097224 where: bonds (distance) C4'-P energy: -117.392 bonds (distance) P-C4' energy: -104.232 flat angles C4'-P-C4' energy: -139.334 flat angles P-C4'-P energy: -77.982 tors. eta vs tors. theta energy: -181.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1944.055909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.055909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.055909 (E_RNA) where: Base-Base interactions energy: -1339.034 where: short stacking energy: -575.161 Base-Backbone interact. energy: -1.029 local terms energy: -603.992766 where: bonds (distance) C4'-P energy: -110.920 bonds (distance) P-C4' energy: -109.983 flat angles C4'-P-C4' energy: -145.627 flat angles P-C4'-P energy: -71.319 tors. eta vs tors. theta energy: -166.144 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: 230 Temperature: 1.300000 Total energy: -1708.255194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.255194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.255194 (E_RNA) where: Base-Base interactions energy: -1164.662 where: short stacking energy: -486.934 Base-Backbone interact. energy: 2.603 local terms energy: -546.196715 where: bonds (distance) C4'-P energy: -104.893 bonds (distance) P-C4' energy: -110.848 flat angles C4'-P-C4' energy: -119.682 flat angles P-C4'-P energy: -71.152 tors. eta vs tors. theta energy: -139.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -934.339345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.339345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.339345 (E_RNA) where: Base-Base interactions energy: -523.001 where: short stacking energy: -275.473 Base-Backbone interact. energy: -3.483 local terms energy: -407.855654 where: bonds (distance) C4'-P energy: -117.547 bonds (distance) P-C4' energy: -106.014 flat angles C4'-P-C4' energy: -93.440 flat angles P-C4'-P energy: -65.276 tors. eta vs tors. theta energy: -25.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2670.085020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.085020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.085020 (E_RNA) where: Base-Base interactions energy: -1912.449 where: short stacking energy: -780.100 Base-Backbone interact. energy: -2.549 local terms energy: -755.087574 where: bonds (distance) C4'-P energy: -132.058 bonds (distance) P-C4' energy: -131.140 flat angles C4'-P-C4' energy: -159.852 flat angles P-C4'-P energy: -104.387 tors. eta vs tors. theta energy: -227.651 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: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2602.745178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.745178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.745178 (E_RNA) where: Base-Base interactions energy: -1858.672 where: short stacking energy: -754.815 Base-Backbone interact. energy: -4.669 local terms energy: -739.404395 where: bonds (distance) C4'-P energy: -131.785 bonds (distance) P-C4' energy: -123.693 flat angles C4'-P-C4' energy: -161.778 flat angles P-C4'-P energy: -90.359 tors. eta vs tors. theta energy: -231.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2566.717922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.717922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.717922 (E_RNA) where: Base-Base interactions energy: -1820.998 where: short stacking energy: -743.021 Base-Backbone interact. energy: -1.787 local terms energy: -743.933018 where: bonds (distance) C4'-P energy: -135.387 bonds (distance) P-C4' energy: -123.929 flat angles C4'-P-C4' energy: -148.032 flat angles P-C4'-P energy: -110.249 tors. eta vs tors. theta energy: -226.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2419.259208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.259208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.259208 (E_RNA) where: Base-Base interactions energy: -1752.901 where: short stacking energy: -719.380 Base-Backbone interact. energy: -1.398 local terms energy: -664.959645 where: bonds (distance) C4'-P energy: -107.318 bonds (distance) P-C4' energy: -118.608 flat angles C4'-P-C4' energy: -136.651 flat angles P-C4'-P energy: -80.699 tors. eta vs tors. theta energy: -221.683 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: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2408.194883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.194883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.194883 (E_RNA) where: Base-Base interactions energy: -1689.956 where: short stacking energy: -700.472 Base-Backbone interact. energy: -1.700 local terms energy: -716.539184 where: bonds (distance) C4'-P energy: -114.839 bonds (distance) P-C4' energy: -119.717 flat angles C4'-P-C4' energy: -151.402 flat angles P-C4'-P energy: -106.554 tors. eta vs tors. theta energy: -224.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2323.767858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.767858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.767858 (E_RNA) where: Base-Base interactions energy: -1655.549 where: short stacking energy: -671.536 Base-Backbone interact. energy: 3.149 local terms energy: -671.368045 where: bonds (distance) C4'-P energy: -107.263 bonds (distance) P-C4' energy: -123.263 flat angles C4'-P-C4' energy: -125.715 flat angles P-C4'-P energy: -100.935 tors. eta vs tors. theta energy: -214.192 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: 7, replica: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2213.688520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.688520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.688520 (E_RNA) where: Base-Base interactions energy: -1569.558 where: short stacking energy: -617.159 Base-Backbone interact. energy: 0.087 local terms energy: -644.217408 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -105.157 flat angles C4'-P-C4' energy: -145.901 flat angles P-C4'-P energy: -87.932 tors. eta vs tors. theta energy: -188.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1885.649613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.649613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.649613 (E_RNA) where: Base-Base interactions energy: -1327.170 where: short stacking energy: -541.813 Base-Backbone interact. energy: 4.241 local terms energy: -562.721238 where: bonds (distance) C4'-P energy: -111.854 bonds (distance) P-C4' energy: -111.823 flat angles C4'-P-C4' energy: -121.369 flat angles P-C4'-P energy: -74.585 tors. eta vs tors. theta energy: -143.090 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: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1698.169546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.169546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.169546 (E_RNA) where: Base-Base interactions energy: -1156.016 where: short stacking energy: -470.749 Base-Backbone interact. energy: 2.015 local terms energy: -544.169237 where: bonds (distance) C4'-P energy: -110.468 bonds (distance) P-C4' energy: -107.934 flat angles C4'-P-C4' energy: -127.142 flat angles P-C4'-P energy: -79.803 tors. eta vs tors. theta energy: -118.821 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: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -945.549299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.549299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.549299 (E_RNA) where: Base-Base interactions energy: -540.307 where: short stacking energy: -261.707 Base-Backbone interact. energy: 3.566 local terms energy: -408.807952 where: bonds (distance) C4'-P energy: -106.409 bonds (distance) P-C4' energy: -129.465 flat angles C4'-P-C4' energy: -94.602 flat angles P-C4'-P energy: -39.914 tors. eta vs tors. theta energy: -38.418 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: 232 Temperature: 0.900000 Total energy: -2653.532457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.532457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.532457 (E_RNA) where: Base-Base interactions energy: -1905.916 where: short stacking energy: -781.128 Base-Backbone interact. energy: -1.822 local terms energy: -745.794418 where: bonds (distance) C4'-P energy: -123.286 bonds (distance) P-C4' energy: -123.064 flat angles C4'-P-C4' energy: -156.131 flat angles P-C4'-P energy: -106.110 tors. eta vs tors. theta energy: -237.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2609.394695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.394695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.394695 (E_RNA) where: Base-Base interactions energy: -1803.691 where: short stacking energy: -734.068 Base-Backbone interact. energy: -3.343 local terms energy: -802.360513 where: bonds (distance) C4'-P energy: -155.500 bonds (distance) P-C4' energy: -141.033 flat angles C4'-P-C4' energy: -161.661 flat angles P-C4'-P energy: -106.386 tors. eta vs tors. theta energy: -237.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2526.287089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.287089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.287089 (E_RNA) where: Base-Base interactions energy: -1799.659 where: short stacking energy: -726.976 Base-Backbone interact. energy: -2.164 local terms energy: -724.464581 where: bonds (distance) C4'-P energy: -142.152 bonds (distance) P-C4' energy: -113.674 flat angles C4'-P-C4' energy: -134.408 flat angles P-C4'-P energy: -113.495 tors. eta vs tors. theta energy: -220.736 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: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2426.614501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.614501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.614501 (E_RNA) where: Base-Base interactions energy: -1734.345 where: short stacking energy: -710.997 Base-Backbone interact. energy: 0.673 local terms energy: -692.942556 where: bonds (distance) C4'-P energy: -105.312 bonds (distance) P-C4' energy: -129.460 flat angles C4'-P-C4' energy: -145.817 flat angles P-C4'-P energy: -99.203 tors. eta vs tors. theta energy: -213.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2383.846241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.846241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.846241 (E_RNA) where: Base-Base interactions energy: -1670.551 where: short stacking energy: -709.528 Base-Backbone interact. energy: -3.581 local terms energy: -709.714487 where: bonds (distance) C4'-P energy: -125.329 bonds (distance) P-C4' energy: -109.516 flat angles C4'-P-C4' energy: -151.372 flat angles P-C4'-P energy: -105.998 tors. eta vs tors. theta energy: -217.499 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: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2340.587027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.587027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.587027 (E_RNA) where: Base-Base interactions energy: -1687.434 where: short stacking energy: -684.451 Base-Backbone interact. energy: -0.910 local terms energy: -652.242729 where: bonds (distance) C4'-P energy: -103.403 bonds (distance) P-C4' energy: -117.712 flat angles C4'-P-C4' energy: -124.615 flat angles P-C4'-P energy: -100.731 tors. eta vs tors. theta energy: -205.783 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: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2101.321487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.321487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.321487 (E_RNA) where: Base-Base interactions energy: -1465.820 where: short stacking energy: -604.955 Base-Backbone interact. energy: -1.477 local terms energy: -634.024344 where: bonds (distance) C4'-P energy: -113.764 bonds (distance) P-C4' energy: -121.363 flat angles C4'-P-C4' energy: -138.191 flat angles P-C4'-P energy: -87.708 tors. eta vs tors. theta energy: -172.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1888.020317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.020317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.020317 (E_RNA) where: Base-Base interactions energy: -1324.280 where: short stacking energy: -540.009 Base-Backbone interact. energy: 0.466 local terms energy: -564.206478 where: bonds (distance) C4'-P energy: -112.649 bonds (distance) P-C4' energy: -113.234 flat angles C4'-P-C4' energy: -121.124 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: -138.571 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: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1634.854775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.854775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.854775 (E_RNA) where: Base-Base interactions energy: -1118.694 where: short stacking energy: -470.916 Base-Backbone interact. energy: -4.197 local terms energy: -511.964743 where: bonds (distance) C4'-P energy: -111.927 bonds (distance) P-C4' energy: -95.392 flat angles C4'-P-C4' energy: -131.329 flat angles P-C4'-P energy: -70.132 tors. eta vs tors. theta energy: -103.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -910.453808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.453808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.453808 (E_RNA) where: Base-Base interactions energy: -514.231 where: short stacking energy: -234.067 Base-Backbone interact. energy: -2.272 local terms energy: -393.951422 where: bonds (distance) C4'-P energy: -110.366 bonds (distance) P-C4' energy: -115.652 flat angles C4'-P-C4' energy: -102.508 flat angles P-C4'-P energy: -39.864 tors. eta vs tors. theta energy: -25.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2681.787185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.787185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.787185 (E_RNA) where: Base-Base interactions energy: -1889.603 where: short stacking energy: -778.353 Base-Backbone interact. energy: -3.406 local terms energy: -788.777944 where: bonds (distance) C4'-P energy: -133.727 bonds (distance) P-C4' energy: -134.767 flat angles C4'-P-C4' energy: -165.877 flat angles P-C4'-P energy: -116.137 tors. eta vs tors. theta energy: -238.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2595.697613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.697613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.697613 (E_RNA) where: Base-Base interactions energy: -1856.482 where: short stacking energy: -747.949 Base-Backbone interact. energy: -0.620 local terms energy: -738.596238 where: bonds (distance) C4'-P energy: -123.469 bonds (distance) P-C4' energy: -131.694 flat angles C4'-P-C4' energy: -157.747 flat angles P-C4'-P energy: -95.309 tors. eta vs tors. theta energy: -230.377 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: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2540.771944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.771944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.771944 (E_RNA) where: Base-Base interactions energy: -1811.116 where: short stacking energy: -727.771 Base-Backbone interact. energy: -0.802 local terms energy: -728.854674 where: bonds (distance) C4'-P energy: -138.436 bonds (distance) P-C4' energy: -106.738 flat angles C4'-P-C4' energy: -148.461 flat angles P-C4'-P energy: -103.552 tors. eta vs tors. theta energy: -231.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2431.684465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.684465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.684465 (E_RNA) where: Base-Base interactions energy: -1696.995 where: short stacking energy: -708.408 Base-Backbone interact. energy: -2.835 local terms energy: -731.853544 where: bonds (distance) C4'-P energy: -125.010 bonds (distance) P-C4' energy: -119.723 flat angles C4'-P-C4' energy: -154.657 flat angles P-C4'-P energy: -108.532 tors. eta vs tors. theta energy: -223.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2360.371419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.371419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.371419 (E_RNA) where: Base-Base interactions energy: -1655.458 where: short stacking energy: -694.151 Base-Backbone interact. energy: -1.000 local terms energy: -703.913425 where: bonds (distance) C4'-P energy: -104.334 bonds (distance) P-C4' energy: -137.555 flat angles C4'-P-C4' energy: -162.370 flat angles P-C4'-P energy: -91.215 tors. eta vs tors. theta energy: -208.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2316.090280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.090280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.090280 (E_RNA) where: Base-Base interactions energy: -1630.108 where: short stacking energy: -672.522 Base-Backbone interact. energy: -1.684 local terms energy: -684.298853 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -123.374 flat angles C4'-P-C4' energy: -137.858 flat angles P-C4'-P energy: -86.221 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: 7, replica: 1 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2157.431228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.431228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.431228 (E_RNA) where: Base-Base interactions energy: -1525.402 where: short stacking energy: -630.805 Base-Backbone interact. energy: -0.556 local terms energy: -631.473828 where: bonds (distance) C4'-P energy: -99.247 bonds (distance) P-C4' energy: -119.028 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -86.872 tors. eta vs tors. theta energy: -196.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1887.631817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.631817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.631817 (E_RNA) where: Base-Base interactions energy: -1311.722 where: short stacking energy: -531.414 Base-Backbone interact. energy: -3.011 local terms energy: -572.899791 where: bonds (distance) C4'-P energy: -105.478 bonds (distance) P-C4' energy: -118.623 flat angles C4'-P-C4' energy: -126.198 flat angles P-C4'-P energy: -79.727 tors. eta vs tors. theta energy: -142.873 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: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1699.143934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.143934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.143934 (E_RNA) where: Base-Base interactions energy: -1172.079 where: short stacking energy: -501.717 Base-Backbone interact. energy: 1.839 local terms energy: -528.903379 where: bonds (distance) C4'-P energy: -111.898 bonds (distance) P-C4' energy: -113.804 flat angles C4'-P-C4' energy: -108.052 flat angles P-C4'-P energy: -70.598 tors. eta vs tors. theta energy: -124.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -881.448835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.448835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.448835 (E_RNA) where: Base-Base interactions energy: -532.870 where: short stacking energy: -276.634 Base-Backbone interact. energy: 2.944 local terms energy: -351.523380 where: bonds (distance) C4'-P energy: -85.878 bonds (distance) P-C4' energy: -87.372 flat angles C4'-P-C4' energy: -74.179 flat angles P-C4'-P energy: -83.132 tors. eta vs tors. theta energy: -20.962 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: 234 Temperature: 0.900000 Total energy: -2677.731390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.731390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.731390 (E_RNA) where: Base-Base interactions energy: -1912.605 where: short stacking energy: -768.775 Base-Backbone interact. energy: -4.287 local terms energy: -760.839879 where: bonds (distance) C4'-P energy: -123.625 bonds (distance) P-C4' energy: -124.064 flat angles C4'-P-C4' energy: -161.564 flat angles P-C4'-P energy: -113.737 tors. eta vs tors. theta energy: -237.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2563.225572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.225572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.225572 (E_RNA) where: Base-Base interactions energy: -1800.333 where: short stacking energy: -703.026 Base-Backbone interact. energy: -1.140 local terms energy: -761.753180 where: bonds (distance) C4'-P energy: -133.457 bonds (distance) P-C4' energy: -130.753 flat angles C4'-P-C4' energy: -166.896 flat angles P-C4'-P energy: -112.854 tors. eta vs tors. theta energy: -217.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2551.803272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.803272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.803272 (E_RNA) where: Base-Base interactions energy: -1808.643 where: short stacking energy: -731.289 Base-Backbone interact. energy: -0.440 local terms energy: -742.720401 where: bonds (distance) C4'-P energy: -121.295 bonds (distance) P-C4' energy: -124.621 flat angles C4'-P-C4' energy: -153.273 flat angles P-C4'-P energy: -110.836 tors. eta vs tors. theta energy: -232.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2438.137180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.137180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.137180 (E_RNA) where: Base-Base interactions energy: -1714.380 where: short stacking energy: -729.074 Base-Backbone interact. energy: -2.015 local terms energy: -721.741984 where: bonds (distance) C4'-P energy: -131.166 bonds (distance) P-C4' energy: -110.578 flat angles C4'-P-C4' energy: -157.833 flat angles P-C4'-P energy: -101.177 tors. eta vs tors. theta energy: -220.987 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: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2362.714236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.714236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.714236 (E_RNA) where: Base-Base interactions energy: -1660.908 where: short stacking energy: -698.384 Base-Backbone interact. energy: 1.360 local terms energy: -703.165545 where: bonds (distance) C4'-P energy: -102.360 bonds (distance) P-C4' energy: -136.684 flat angles C4'-P-C4' energy: -146.840 flat angles P-C4'-P energy: -105.967 tors. eta vs tors. theta energy: -211.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2354.735668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.735668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.735668 (E_RNA) where: Base-Base interactions energy: -1669.571 where: short stacking energy: -676.889 Base-Backbone interact. energy: -0.449 local terms energy: -684.715698 where: bonds (distance) C4'-P energy: -114.974 bonds (distance) P-C4' energy: -117.217 flat angles C4'-P-C4' energy: -138.730 flat angles P-C4'-P energy: -97.939 tors. eta vs tors. theta energy: -215.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2123.722400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.722400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.722400 (E_RNA) where: Base-Base interactions energy: -1494.400 where: short stacking energy: -613.345 Base-Backbone interact. energy: -1.003 local terms energy: -628.318801 where: bonds (distance) C4'-P energy: -94.314 bonds (distance) P-C4' energy: -118.426 flat angles C4'-P-C4' energy: -135.096 flat angles P-C4'-P energy: -91.239 tors. eta vs tors. theta energy: -189.244 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: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1936.057098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.057098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.057098 (E_RNA) where: Base-Base interactions energy: -1367.639 where: short stacking energy: -576.774 Base-Backbone interact. energy: 0.773 local terms energy: -569.191424 where: bonds (distance) C4'-P energy: -104.278 bonds (distance) P-C4' energy: -112.269 flat angles C4'-P-C4' energy: -110.605 flat angles P-C4'-P energy: -82.253 tors. eta vs tors. theta energy: -159.787 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: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1715.418243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.418243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.418243 (E_RNA) where: Base-Base interactions energy: -1214.881 where: short stacking energy: -509.572 Base-Backbone interact. energy: 0.392 local terms energy: -500.929143 where: bonds (distance) C4'-P energy: -98.705 bonds (distance) P-C4' energy: -96.867 flat angles C4'-P-C4' energy: -111.348 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -120.085 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: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -941.100864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.100864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.100864 (E_RNA) where: Base-Base interactions energy: -539.662 where: short stacking energy: -253.255 Base-Backbone interact. energy: 0.514 local terms energy: -401.952818 where: bonds (distance) C4'-P energy: -108.121 bonds (distance) P-C4' energy: -119.286 flat angles C4'-P-C4' energy: -99.641 flat angles P-C4'-P energy: -65.490 tors. eta vs tors. theta energy: -9.415 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: 235 Temperature: 0.900000 Total energy: -2635.209172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.209172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.209172 (E_RNA) where: Base-Base interactions energy: -1852.059 where: short stacking energy: -741.028 Base-Backbone interact. energy: -2.741 local terms energy: -780.409031 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -139.531 flat angles C4'-P-C4' energy: -171.749 flat angles P-C4'-P energy: -108.736 tors. eta vs tors. theta energy: -226.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2601.016972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.016972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.016972 (E_RNA) where: Base-Base interactions energy: -1825.191 where: short stacking energy: -734.258 Base-Backbone interact. energy: -0.234 local terms energy: -775.591535 where: bonds (distance) C4'-P energy: -133.298 bonds (distance) P-C4' energy: -140.383 flat angles C4'-P-C4' energy: -162.699 flat angles P-C4'-P energy: -111.922 tors. eta vs tors. theta energy: -227.289 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: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2526.120294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.120294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.120294 (E_RNA) where: Base-Base interactions energy: -1797.189 where: short stacking energy: -719.314 Base-Backbone interact. energy: -3.595 local terms energy: -725.336524 where: bonds (distance) C4'-P energy: -130.172 bonds (distance) P-C4' energy: -112.913 flat angles C4'-P-C4' energy: -150.147 flat angles P-C4'-P energy: -104.397 tors. eta vs tors. theta energy: -227.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2425.902491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.902491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.902491 (E_RNA) where: Base-Base interactions energy: -1719.877 where: short stacking energy: -728.225 Base-Backbone interact. energy: -1.995 local terms energy: -704.030776 where: bonds (distance) C4'-P energy: -116.900 bonds (distance) P-C4' energy: -119.046 flat angles C4'-P-C4' energy: -147.695 flat angles P-C4'-P energy: -96.581 tors. eta vs tors. theta energy: -223.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2366.951656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.951656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.951656 (E_RNA) where: Base-Base interactions energy: -1660.567 where: short stacking energy: -674.140 Base-Backbone interact. energy: -0.244 local terms energy: -706.141276 where: bonds (distance) C4'-P energy: -123.825 bonds (distance) P-C4' energy: -132.504 flat angles C4'-P-C4' energy: -147.908 flat angles P-C4'-P energy: -95.818 tors. eta vs tors. theta energy: -206.086 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: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2320.961770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.961770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.961770 (E_RNA) where: Base-Base interactions energy: -1635.748 where: short stacking energy: -665.461 Base-Backbone interact. energy: -0.352 local terms energy: -684.862736 where: bonds (distance) C4'-P energy: -111.435 bonds (distance) P-C4' energy: -105.394 flat angles C4'-P-C4' energy: -154.412 flat angles P-C4'-P energy: -98.925 tors. eta vs tors. theta energy: -214.696 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: 235 Temperature: 1.200000 Total energy: -2144.026763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.026763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.026763 (E_RNA) where: Base-Base interactions energy: -1491.909 where: short stacking energy: -602.696 Base-Backbone interact. energy: -0.262 local terms energy: -651.855387 where: bonds (distance) C4'-P energy: -118.253 bonds (distance) P-C4' energy: -130.148 flat angles C4'-P-C4' energy: -133.892 flat angles P-C4'-P energy: -94.754 tors. eta vs tors. theta energy: -174.808 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: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1934.300447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.300447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.300447 (E_RNA) where: Base-Base interactions energy: -1356.091 where: short stacking energy: -564.856 Base-Backbone interact. energy: -4.390 local terms energy: -573.819648 where: bonds (distance) C4'-P energy: -104.005 bonds (distance) P-C4' energy: -109.050 flat angles C4'-P-C4' energy: -134.440 flat angles P-C4'-P energy: -72.062 tors. eta vs tors. theta energy: -154.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1676.609258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.609258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.609258 (E_RNA) where: Base-Base interactions energy: -1149.108 where: short stacking energy: -461.258 Base-Backbone interact. energy: -0.414 local terms energy: -527.087526 where: bonds (distance) C4'-P energy: -97.426 bonds (distance) P-C4' energy: -113.521 flat angles C4'-P-C4' energy: -120.278 flat angles P-C4'-P energy: -80.292 tors. eta vs tors. theta energy: -115.571 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: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -915.283004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.283004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.283004 (E_RNA) where: Base-Base interactions energy: -523.361 where: short stacking energy: -259.531 Base-Backbone interact. energy: -2.239 local terms energy: -389.683299 where: bonds (distance) C4'-P energy: -95.850 bonds (distance) P-C4' energy: -119.787 flat angles C4'-P-C4' energy: -101.311 flat angles P-C4'-P energy: -59.093 tors. eta vs tors. theta energy: -13.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2692.721188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.721188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.721188 (E_RNA) where: Base-Base interactions energy: -1924.644 where: short stacking energy: -780.071 Base-Backbone interact. energy: -3.780 local terms energy: -764.297011 where: bonds (distance) C4'-P energy: -134.363 bonds (distance) P-C4' energy: -129.954 flat angles C4'-P-C4' energy: -154.493 flat angles P-C4'-P energy: -113.272 tors. eta vs tors. theta energy: -232.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2590.512531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.512531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.512531 (E_RNA) where: Base-Base interactions energy: -1846.062 where: short stacking energy: -741.012 Base-Backbone interact. energy: -2.946 local terms energy: -741.504350 where: bonds (distance) C4'-P energy: -112.010 bonds (distance) P-C4' energy: -133.329 flat angles C4'-P-C4' energy: -147.059 flat angles P-C4'-P energy: -116.579 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: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2530.193295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.193295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.193295 (E_RNA) where: Base-Base interactions energy: -1784.194 where: short stacking energy: -709.218 Base-Backbone interact. energy: -1.285 local terms energy: -744.714216 where: bonds (distance) C4'-P energy: -114.003 bonds (distance) P-C4' energy: -136.091 flat angles C4'-P-C4' energy: -159.128 flat angles P-C4'-P energy: -118.706 tors. eta vs tors. theta energy: -216.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2421.674336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.674336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.674336 (E_RNA) where: Base-Base interactions energy: -1711.011 where: short stacking energy: -723.254 Base-Backbone interact. energy: -0.085 local terms energy: -710.578324 where: bonds (distance) C4'-P energy: -117.696 bonds (distance) P-C4' energy: -111.996 flat angles C4'-P-C4' energy: -159.440 flat angles P-C4'-P energy: -96.481 tors. eta vs tors. theta energy: -224.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2376.924392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.924392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.924392 (E_RNA) where: Base-Base interactions energy: -1691.097 where: short stacking energy: -698.119 Base-Backbone interact. energy: -1.032 local terms energy: -684.795976 where: bonds (distance) C4'-P energy: -108.128 bonds (distance) P-C4' energy: -125.684 flat angles C4'-P-C4' energy: -149.922 flat angles P-C4'-P energy: -91.559 tors. eta vs tors. theta energy: -209.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2334.710966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.710966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.710966 (E_RNA) where: Base-Base interactions energy: -1651.621 where: short stacking energy: -672.456 Base-Backbone interact. energy: -1.531 local terms energy: -681.558624 where: bonds (distance) C4'-P energy: -121.003 bonds (distance) P-C4' energy: -104.902 flat angles C4'-P-C4' energy: -150.066 flat angles P-C4'-P energy: -104.063 tors. eta vs tors. theta energy: -201.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2125.607525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.607525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.607525 (E_RNA) where: Base-Base interactions energy: -1496.045 where: short stacking energy: -596.260 Base-Backbone interact. energy: -1.551 local terms energy: -628.012373 where: bonds (distance) C4'-P energy: -106.888 bonds (distance) P-C4' energy: -114.835 flat angles C4'-P-C4' energy: -145.428 flat angles P-C4'-P energy: -89.565 tors. eta vs tors. theta energy: -171.297 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: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1889.945676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.945676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.945676 (E_RNA) where: Base-Base interactions energy: -1326.859 where: short stacking energy: -535.117 Base-Backbone interact. energy: 0.630 local terms energy: -563.716964 where: bonds (distance) C4'-P energy: -95.455 bonds (distance) P-C4' energy: -108.068 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -79.657 tors. eta vs tors. theta energy: -150.242 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: 236 Temperature: 1.300000 Total energy: -1716.354620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.354620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.354620 (E_RNA) where: Base-Base interactions energy: -1187.138 where: short stacking energy: -487.562 Base-Backbone interact. energy: -2.209 local terms energy: -527.008002 where: bonds (distance) C4'-P energy: -101.356 bonds (distance) P-C4' energy: -118.531 flat angles C4'-P-C4' energy: -117.666 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -118.657 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: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -864.220819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.220819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.220819 (E_RNA) where: Base-Base interactions energy: -459.737 where: short stacking energy: -210.951 Base-Backbone interact. energy: -4.124 local terms energy: -400.360310 where: bonds (distance) C4'-P energy: -106.334 bonds (distance) P-C4' energy: -137.740 flat angles C4'-P-C4' energy: -91.399 flat angles P-C4'-P energy: -64.952 tors. eta vs tors. theta energy: 0.065 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: 237 Temperature: 0.900000 Total energy: -2651.033208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.033208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.033208 (E_RNA) where: Base-Base interactions energy: -1893.138 where: short stacking energy: -762.726 Base-Backbone interact. energy: -2.761 local terms energy: -755.134714 where: bonds (distance) C4'-P energy: -136.579 bonds (distance) P-C4' energy: -127.423 flat angles C4'-P-C4' energy: -157.512 flat angles P-C4'-P energy: -106.844 tors. eta vs tors. theta energy: -226.777 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: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2574.768016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.768016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.768016 (E_RNA) where: Base-Base interactions energy: -1814.272 where: short stacking energy: -743.427 Base-Backbone interact. energy: -2.208 local terms energy: -758.287907 where: bonds (distance) C4'-P energy: -117.421 bonds (distance) P-C4' energy: -144.068 flat angles C4'-P-C4' energy: -162.713 flat angles P-C4'-P energy: -106.817 tors. eta vs tors. theta energy: -227.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2508.596318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.596318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.596318 (E_RNA) where: Base-Base interactions energy: -1788.870 where: short stacking energy: -739.212 Base-Backbone interact. energy: -0.235 local terms energy: -719.491868 where: bonds (distance) C4'-P energy: -119.998 bonds (distance) P-C4' energy: -118.161 flat angles C4'-P-C4' energy: -144.048 flat angles P-C4'-P energy: -99.402 tors. eta vs tors. theta energy: -237.883 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: 4, replica: 2 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2419.500280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.500280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.500280 (E_RNA) where: Base-Base interactions energy: -1715.799 where: short stacking energy: -728.972 Base-Backbone interact. energy: -1.827 local terms energy: -701.874644 where: bonds (distance) C4'-P energy: -110.711 bonds (distance) P-C4' energy: -135.290 flat angles C4'-P-C4' energy: -139.655 flat angles P-C4'-P energy: -88.898 tors. eta vs tors. theta energy: -227.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2357.641643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.641643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.641643 (E_RNA) where: Base-Base interactions energy: -1691.379 where: short stacking energy: -697.139 Base-Backbone interact. energy: -0.064 local terms energy: -666.198903 where: bonds (distance) C4'-P energy: -115.241 bonds (distance) P-C4' energy: -99.511 flat angles C4'-P-C4' energy: -148.708 flat angles P-C4'-P energy: -92.440 tors. eta vs tors. theta energy: -210.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2282.530684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.530684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.530684 (E_RNA) where: Base-Base interactions energy: -1619.799 where: short stacking energy: -677.924 Base-Backbone interact. energy: -1.022 local terms energy: -661.710025 where: bonds (distance) C4'-P energy: -127.925 bonds (distance) P-C4' energy: -110.719 flat angles C4'-P-C4' energy: -129.159 flat angles P-C4'-P energy: -87.004 tors. eta vs tors. theta energy: -206.903 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: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2110.210459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.210459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.210459 (E_RNA) where: Base-Base interactions energy: -1466.218 where: short stacking energy: -575.311 Base-Backbone interact. energy: 2.425 local terms energy: -646.417483 where: bonds (distance) C4'-P energy: -121.381 bonds (distance) P-C4' energy: -114.507 flat angles C4'-P-C4' energy: -135.806 flat angles P-C4'-P energy: -101.793 tors. eta vs tors. theta energy: -172.930 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: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1912.716194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.716194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.716194 (E_RNA) where: Base-Base interactions energy: -1370.478 where: short stacking energy: -573.751 Base-Backbone interact. energy: -0.196 local terms energy: -542.041981 where: bonds (distance) C4'-P energy: -96.487 bonds (distance) P-C4' energy: -102.467 flat angles C4'-P-C4' energy: -121.078 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -151.710 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: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1742.991743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.991743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.991743 (E_RNA) where: Base-Base interactions energy: -1226.486 where: short stacking energy: -490.918 Base-Backbone interact. energy: -1.257 local terms energy: -515.249681 where: bonds (distance) C4'-P energy: -98.032 bonds (distance) P-C4' energy: -99.654 flat angles C4'-P-C4' energy: -109.062 flat angles P-C4'-P energy: -76.254 tors. eta vs tors. theta energy: -132.247 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: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -918.299236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.299236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.299236 (E_RNA) where: Base-Base interactions energy: -561.387 where: short stacking energy: -273.765 Base-Backbone interact. energy: -0.643 local terms energy: -356.268583 where: bonds (distance) C4'-P energy: -94.891 bonds (distance) P-C4' energy: -87.463 flat angles C4'-P-C4' energy: -100.376 flat angles P-C4'-P energy: -59.738 tors. eta vs tors. theta energy: -13.801 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: 238 Temperature: 0.900000 Total energy: -2634.198670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.198670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.198670 (E_RNA) where: Base-Base interactions energy: -1862.542 where: short stacking energy: -758.129 Base-Backbone interact. energy: -3.689 local terms energy: -767.967619 where: bonds (distance) C4'-P energy: -135.966 bonds (distance) P-C4' energy: -121.458 flat angles C4'-P-C4' energy: -163.465 flat angles P-C4'-P energy: -122.722 tors. eta vs tors. theta energy: -224.357 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: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2571.328085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.328085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.328085 (E_RNA) where: Base-Base interactions energy: -1811.574 where: short stacking energy: -751.809 Base-Backbone interact. energy: -1.964 local terms energy: -757.790214 where: bonds (distance) C4'-P energy: -139.299 bonds (distance) P-C4' energy: -125.523 flat angles C4'-P-C4' energy: -156.204 flat angles P-C4'-P energy: -109.798 tors. eta vs tors. theta energy: -226.966 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: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2509.936121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.936121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.936121 (E_RNA) where: Base-Base interactions energy: -1783.176 where: short stacking energy: -723.779 Base-Backbone interact. energy: 1.090 local terms energy: -727.849145 where: bonds (distance) C4'-P energy: -125.817 bonds (distance) P-C4' energy: -129.610 flat angles C4'-P-C4' energy: -157.118 flat angles P-C4'-P energy: -102.703 tors. eta vs tors. theta energy: -212.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2411.972425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.972425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.972425 (E_RNA) where: Base-Base interactions energy: -1681.487 where: short stacking energy: -708.833 Base-Backbone interact. energy: -1.317 local terms energy: -729.167849 where: bonds (distance) C4'-P energy: -127.433 bonds (distance) P-C4' energy: -136.538 flat angles C4'-P-C4' energy: -143.503 flat angles P-C4'-P energy: -106.094 tors. eta vs tors. theta energy: -215.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2375.759660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.759660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.759660 (E_RNA) where: Base-Base interactions energy: -1698.668 where: short stacking energy: -699.495 Base-Backbone interact. energy: -1.400 local terms energy: -675.691204 where: bonds (distance) C4'-P energy: -113.704 bonds (distance) P-C4' energy: -102.890 flat angles C4'-P-C4' energy: -156.080 flat angles P-C4'-P energy: -89.311 tors. eta vs tors. theta energy: -213.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2306.703215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.703215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.703215 (E_RNA) where: Base-Base interactions energy: -1645.480 where: short stacking energy: -689.581 Base-Backbone interact. energy: 0.067 local terms energy: -661.290243 where: bonds (distance) C4'-P energy: -108.814 bonds (distance) P-C4' energy: -109.287 flat angles C4'-P-C4' energy: -140.541 flat angles P-C4'-P energy: -96.092 tors. eta vs tors. theta energy: -206.557 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: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2099.764591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.764591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.764591 (E_RNA) where: Base-Base interactions energy: -1479.399 where: short stacking energy: -601.623 Base-Backbone interact. energy: 0.474 local terms energy: -620.839288 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -121.293 flat angles C4'-P-C4' energy: -122.450 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -177.047 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: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1978.924464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.924464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.924464 (E_RNA) where: Base-Base interactions energy: -1375.716 where: short stacking energy: -567.064 Base-Backbone interact. energy: -0.137 local terms energy: -603.071433 where: bonds (distance) C4'-P energy: -110.165 bonds (distance) P-C4' energy: -121.014 flat angles C4'-P-C4' energy: -131.106 flat angles P-C4'-P energy: -77.820 tors. eta vs tors. theta energy: -162.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1675.464771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.464771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.464771 (E_RNA) where: Base-Base interactions energy: -1127.817 where: short stacking energy: -451.257 Base-Backbone interact. energy: 3.052 local terms energy: -550.699984 where: bonds (distance) C4'-P energy: -109.744 bonds (distance) P-C4' energy: -96.719 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -86.305 tors. eta vs tors. theta energy: -119.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -855.048506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.048506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.048506 (E_RNA) where: Base-Base interactions energy: -467.516 where: short stacking energy: -225.962 Base-Backbone interact. energy: 4.855 local terms energy: -392.387927 where: bonds (distance) C4'-P energy: -114.782 bonds (distance) P-C4' energy: -114.270 flat angles C4'-P-C4' energy: -103.753 flat angles P-C4'-P energy: -59.801 tors. eta vs tors. theta energy: 0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2633.982132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.982132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.982132 (E_RNA) where: Base-Base interactions energy: -1871.518 where: short stacking energy: -778.501 Base-Backbone interact. energy: -2.495 local terms energy: -759.969184 where: bonds (distance) C4'-P energy: -139.632 bonds (distance) P-C4' energy: -134.629 flat angles C4'-P-C4' energy: -153.769 flat angles P-C4'-P energy: -103.499 tors. eta vs tors. theta energy: -228.441 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: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2594.125165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.125165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.125165 (E_RNA) where: Base-Base interactions energy: -1837.041 where: short stacking energy: -751.711 Base-Backbone interact. energy: 1.407 local terms energy: -758.490884 where: bonds (distance) C4'-P energy: -124.024 bonds (distance) P-C4' energy: -132.643 flat angles C4'-P-C4' energy: -155.403 flat angles P-C4'-P energy: -117.219 tors. eta vs tors. theta energy: -229.202 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: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2489.902597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.902597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.902597 (E_RNA) where: Base-Base interactions energy: -1771.350 where: short stacking energy: -722.541 Base-Backbone interact. energy: -0.187 local terms energy: -718.365686 where: bonds (distance) C4'-P energy: -130.520 bonds (distance) P-C4' energy: -130.172 flat angles C4'-P-C4' energy: -139.727 flat angles P-C4'-P energy: -103.235 tors. eta vs tors. theta energy: -214.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2445.969824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.969824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.969824 (E_RNA) where: Base-Base interactions energy: -1747.569 where: short stacking energy: -722.278 Base-Backbone interact. energy: 4.023 local terms energy: -702.423197 where: bonds (distance) C4'-P energy: -125.877 bonds (distance) P-C4' energy: -117.185 flat angles C4'-P-C4' energy: -151.249 flat angles P-C4'-P energy: -92.733 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: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2393.970428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.970428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.970428 (E_RNA) where: Base-Base interactions energy: -1708.505 where: short stacking energy: -703.941 Base-Backbone interact. energy: 0.304 local terms energy: -685.769902 where: bonds (distance) C4'-P energy: -114.136 bonds (distance) P-C4' energy: -120.896 flat angles C4'-P-C4' energy: -134.960 flat angles P-C4'-P energy: -103.278 tors. eta vs tors. theta energy: -212.499 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: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2276.572546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.572546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.572546 (E_RNA) where: Base-Base interactions energy: -1617.950 where: short stacking energy: -666.022 Base-Backbone interact. energy: -1.393 local terms energy: -657.229780 where: bonds (distance) C4'-P energy: -101.783 bonds (distance) P-C4' energy: -119.485 flat angles C4'-P-C4' energy: -139.632 flat angles P-C4'-P energy: -92.582 tors. eta vs tors. theta energy: -203.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2123.134901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.134901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.134901 (E_RNA) where: Base-Base interactions energy: -1507.605 where: short stacking energy: -603.079 Base-Backbone interact. energy: -1.466 local terms energy: -614.063401 where: bonds (distance) C4'-P energy: -100.148 bonds (distance) P-C4' energy: -112.625 flat angles C4'-P-C4' energy: -137.639 flat angles P-C4'-P energy: -79.443 tors. eta vs tors. theta energy: -184.208 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: 239 Temperature: 1.250000 Total energy: -1951.676930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.676930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.676930 (E_RNA) where: Base-Base interactions energy: -1356.657 where: short stacking energy: -554.166 Base-Backbone interact. energy: -3.770 local terms energy: -591.249089 where: bonds (distance) C4'-P energy: -113.604 bonds (distance) P-C4' energy: -121.412 flat angles C4'-P-C4' energy: -113.979 flat angles P-C4'-P energy: -85.902 tors. eta vs tors. theta energy: -156.351 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: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1636.031301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.031301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.031301 (E_RNA) where: Base-Base interactions energy: -1147.681 where: short stacking energy: -465.790 Base-Backbone interact. energy: 0.584 local terms energy: -488.933896 where: bonds (distance) C4'-P energy: -102.562 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -122.729 flat angles P-C4'-P energy: -73.798 tors. eta vs tors. theta energy: -92.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -863.734453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.734453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.734453 (E_RNA) where: Base-Base interactions energy: -462.029 where: short stacking energy: -234.416 Base-Backbone interact. energy: -3.620 local terms energy: -398.085217 where: bonds (distance) C4'-P energy: -127.043 bonds (distance) P-C4' energy: -90.510 flat angles C4'-P-C4' energy: -98.221 flat angles P-C4'-P energy: -65.463 tors. eta vs tors. theta energy: -16.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2649.912160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.912160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.912160 (E_RNA) where: Base-Base interactions energy: -1872.212 where: short stacking energy: -769.879 Base-Backbone interact. energy: -3.774 local terms energy: -773.927050 where: bonds (distance) C4'-P energy: -127.419 bonds (distance) P-C4' energy: -145.224 flat angles C4'-P-C4' energy: -156.404 flat angles P-C4'-P energy: -120.737 tors. eta vs tors. theta energy: -224.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2584.793067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.793067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.793067 (E_RNA) where: Base-Base interactions energy: -1820.165 where: short stacking energy: -741.388 Base-Backbone interact. energy: -3.107 local terms energy: -761.521425 where: bonds (distance) C4'-P energy: -120.101 bonds (distance) P-C4' energy: -132.748 flat angles C4'-P-C4' energy: -166.832 flat angles P-C4'-P energy: -113.164 tors. eta vs tors. theta energy: -228.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2527.115126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.115126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.115126 (E_RNA) where: Base-Base interactions energy: -1818.024 where: short stacking energy: -739.105 Base-Backbone interact. energy: 2.821 local terms energy: -711.912024 where: bonds (distance) C4'-P energy: -116.754 bonds (distance) P-C4' energy: -128.624 flat angles C4'-P-C4' energy: -143.532 flat angles P-C4'-P energy: -106.990 tors. eta vs tors. theta energy: -216.013 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: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2437.880298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.880298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.880298 (E_RNA) where: Base-Base interactions energy: -1708.727 where: short stacking energy: -705.080 Base-Backbone interact. energy: -0.604 local terms energy: -728.549634 where: bonds (distance) C4'-P energy: -117.741 bonds (distance) P-C4' energy: -137.722 flat angles C4'-P-C4' energy: -147.549 flat angles P-C4'-P energy: -111.813 tors. eta vs tors. theta energy: -213.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2364.457756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.457756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.457756 (E_RNA) where: Base-Base interactions energy: -1687.134 where: short stacking energy: -684.812 Base-Backbone interact. energy: -0.056 local terms energy: -677.268473 where: bonds (distance) C4'-P energy: -124.530 bonds (distance) P-C4' energy: -114.296 flat angles C4'-P-C4' energy: -149.636 flat angles P-C4'-P energy: -79.638 tors. eta vs tors. theta energy: -209.168 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: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2265.169424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.169424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.169424 (E_RNA) where: Base-Base interactions energy: -1576.880 where: short stacking energy: -668.882 Base-Backbone interact. energy: 0.496 local terms energy: -688.785886 where: bonds (distance) C4'-P energy: -126.636 bonds (distance) P-C4' energy: -124.877 flat angles C4'-P-C4' energy: -142.252 flat angles P-C4'-P energy: -97.911 tors. eta vs tors. theta energy: -197.109 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: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2083.923627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.923627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.923627 (E_RNA) where: Base-Base interactions energy: -1490.379 where: short stacking energy: -612.956 Base-Backbone interact. energy: 4.698 local terms energy: -598.243253 where: bonds (distance) C4'-P energy: -108.250 bonds (distance) P-C4' energy: -98.426 flat angles C4'-P-C4' energy: -132.809 flat angles P-C4'-P energy: -74.129 tors. eta vs tors. theta energy: -184.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1948.703066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.703066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.703066 (E_RNA) where: Base-Base interactions energy: -1380.830 where: short stacking energy: -563.449 Base-Backbone interact. energy: -1.106 local terms energy: -566.766532 where: bonds (distance) C4'-P energy: -101.645 bonds (distance) P-C4' energy: -117.594 flat angles C4'-P-C4' energy: -111.016 flat angles P-C4'-P energy: -79.666 tors. eta vs tors. theta energy: -156.846 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1692.097034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.097034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.097034 (E_RNA) where: Base-Base interactions energy: -1164.073 where: short stacking energy: -479.393 Base-Backbone interact. energy: 1.513 local terms energy: -529.536374 where: bonds (distance) C4'-P energy: -113.975 bonds (distance) P-C4' energy: -114.696 flat angles C4'-P-C4' energy: -120.097 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: -118.730 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: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -854.034556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.034556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.034556 (E_RNA) where: Base-Base interactions energy: -456.544 where: short stacking energy: -254.293 Base-Backbone interact. energy: 3.528 local terms energy: -401.017656 where: bonds (distance) C4'-P energy: -121.862 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -87.009 flat angles P-C4'-P energy: -55.741 tors. eta vs tors. theta energy: -21.674 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: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2654.193473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.193473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.193473 (E_RNA) where: Base-Base interactions energy: -1888.308 where: short stacking energy: -770.458 Base-Backbone interact. energy: -2.957 local terms energy: -762.928071 where: bonds (distance) C4'-P energy: -122.915 bonds (distance) P-C4' energy: -143.867 flat angles C4'-P-C4' energy: -159.646 flat angles P-C4'-P energy: -110.393 tors. eta vs tors. theta energy: -226.107 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: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2614.118989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.118989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.118989 (E_RNA) where: Base-Base interactions energy: -1828.241 where: short stacking energy: -766.149 Base-Backbone interact. energy: 0.129 local terms energy: -786.006723 where: bonds (distance) C4'-P energy: -139.699 bonds (distance) P-C4' energy: -129.348 flat angles C4'-P-C4' energy: -168.867 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -239.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2490.125349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.125349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.125349 (E_RNA) where: Base-Base interactions energy: -1767.853 where: short stacking energy: -717.746 Base-Backbone interact. energy: 0.854 local terms energy: -723.126742 where: bonds (distance) C4'-P energy: -133.814 bonds (distance) P-C4' energy: -119.966 flat angles C4'-P-C4' energy: -158.098 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -209.932 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: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2485.663155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.663155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.663155 (E_RNA) where: Base-Base interactions energy: -1773.195 where: short stacking energy: -760.229 Base-Backbone interact. energy: -2.700 local terms energy: -709.768113 where: bonds (distance) C4'-P energy: -118.336 bonds (distance) P-C4' energy: -103.166 flat angles C4'-P-C4' energy: -157.576 flat angles P-C4'-P energy: -106.452 tors. eta vs tors. theta energy: -224.238 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: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2429.704074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.704074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.704074 (E_RNA) where: Base-Base interactions energy: -1727.673 where: short stacking energy: -705.687 Base-Backbone interact. energy: -3.012 local terms energy: -699.018323 where: bonds (distance) C4'-P energy: -109.733 bonds (distance) P-C4' energy: -115.453 flat angles C4'-P-C4' energy: -149.444 flat angles P-C4'-P energy: -99.271 tors. eta vs tors. theta energy: -225.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2254.086018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.086018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.086018 (E_RNA) where: Base-Base interactions energy: -1610.849 where: short stacking energy: -657.509 Base-Backbone interact. energy: -1.806 local terms energy: -641.430501 where: bonds (distance) C4'-P energy: -85.832 bonds (distance) P-C4' energy: -115.098 flat angles C4'-P-C4' energy: -143.564 flat angles P-C4'-P energy: -98.079 tors. eta vs tors. theta energy: -198.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2169.919071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.919071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.919071 (E_RNA) where: Base-Base interactions energy: -1547.689 where: short stacking energy: -617.019 Base-Backbone interact. energy: 0.505 local terms energy: -622.735286 where: bonds (distance) C4'-P energy: -110.233 bonds (distance) P-C4' energy: -117.521 flat angles C4'-P-C4' energy: -122.387 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -188.132 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: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1978.218339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.218339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.218339 (E_RNA) where: Base-Base interactions energy: -1380.863 where: short stacking energy: -569.441 Base-Backbone interact. energy: 2.966 local terms energy: -600.322149 where: bonds (distance) C4'-P energy: -121.168 bonds (distance) P-C4' energy: -121.807 flat angles C4'-P-C4' energy: -126.755 flat angles P-C4'-P energy: -76.128 tors. eta vs tors. theta energy: -154.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1704.224550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.224550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.224550 (E_RNA) where: Base-Base interactions energy: -1183.132 where: short stacking energy: -471.932 Base-Backbone interact. energy: 1.846 local terms energy: -522.938479 where: bonds (distance) C4'-P energy: -94.827 bonds (distance) P-C4' energy: -110.568 flat angles C4'-P-C4' energy: -122.735 flat angles P-C4'-P energy: -79.970 tors. eta vs tors. theta energy: -114.837 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: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -837.911167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.911167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.911167 (E_RNA) where: Base-Base interactions energy: -448.939 where: short stacking energy: -240.643 Base-Backbone interact. energy: 5.492 local terms energy: -394.464234 where: bonds (distance) C4'-P energy: -97.289 bonds (distance) P-C4' energy: -127.764 flat angles C4'-P-C4' energy: -107.718 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: -19.723 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: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2632.805796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.805796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.805796 (E_RNA) where: Base-Base interactions energy: -1879.516 where: short stacking energy: -773.674 Base-Backbone interact. energy: -2.998 local terms energy: -750.290957 where: bonds (distance) C4'-P energy: -118.367 bonds (distance) P-C4' energy: -135.586 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -110.231 tors. eta vs tors. theta energy: -230.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2584.968264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.968264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.968264 (E_RNA) where: Base-Base interactions energy: -1832.103 where: short stacking energy: -742.393 Base-Backbone interact. energy: 1.080 local terms energy: -753.944424 where: bonds (distance) C4'-P energy: -118.205 bonds (distance) P-C4' energy: -147.301 flat angles C4'-P-C4' energy: -153.672 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -223.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2494.730215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.730215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.730215 (E_RNA) where: Base-Base interactions energy: -1762.970 where: short stacking energy: -721.526 Base-Backbone interact. energy: -0.445 local terms energy: -731.315160 where: bonds (distance) C4'-P energy: -132.851 bonds (distance) P-C4' energy: -123.584 flat angles C4'-P-C4' energy: -144.433 flat angles P-C4'-P energy: -107.236 tors. eta vs tors. theta energy: -223.212 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: 2 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2450.666547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.666547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.666547 (E_RNA) where: Base-Base interactions energy: -1739.595 where: short stacking energy: -715.850 Base-Backbone interact. energy: -1.196 local terms energy: -709.875229 where: bonds (distance) C4'-P energy: -110.757 bonds (distance) P-C4' energy: -118.540 flat angles C4'-P-C4' energy: -145.538 flat angles P-C4'-P energy: -113.738 tors. eta vs tors. theta energy: -221.303 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: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2400.827079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.827079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.827079 (E_RNA) where: Base-Base interactions energy: -1709.719 where: short stacking energy: -709.463 Base-Backbone interact. energy: -0.652 local terms energy: -690.456366 where: bonds (distance) C4'-P energy: -114.743 bonds (distance) P-C4' energy: -132.827 flat angles C4'-P-C4' energy: -138.761 flat angles P-C4'-P energy: -89.179 tors. eta vs tors. theta energy: -214.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2270.106070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.106070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.106070 (E_RNA) where: Base-Base interactions energy: -1621.473 where: short stacking energy: -681.959 Base-Backbone interact. energy: 0.780 local terms energy: -649.413525 where: bonds (distance) C4'-P energy: -96.996 bonds (distance) P-C4' energy: -126.065 flat angles C4'-P-C4' energy: -139.351 flat angles P-C4'-P energy: -94.678 tors. eta vs tors. theta energy: -192.324 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: 242 Temperature: 1.200000 Total energy: -2191.343133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.343133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.343133 (E_RNA) where: Base-Base interactions energy: -1550.542 where: short stacking energy: -652.414 Base-Backbone interact. energy: 2.539 local terms energy: -643.340174 where: bonds (distance) C4'-P energy: -98.723 bonds (distance) P-C4' energy: -116.347 flat angles C4'-P-C4' energy: -139.796 flat angles P-C4'-P energy: -89.807 tors. eta vs tors. theta energy: -198.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1947.394925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.394925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.394925 (E_RNA) where: Base-Base interactions energy: -1383.658 where: short stacking energy: -554.511 Base-Backbone interact. energy: -1.115 local terms energy: -562.621327 where: bonds (distance) C4'-P energy: -104.323 bonds (distance) P-C4' energy: -101.233 flat angles C4'-P-C4' energy: -123.642 flat angles P-C4'-P energy: -77.039 tors. eta vs tors. theta energy: -156.384 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: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1697.955495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.955495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.955495 (E_RNA) where: Base-Base interactions energy: -1178.261 where: short stacking energy: -476.794 Base-Backbone interact. energy: -4.144 local terms energy: -515.549727 where: bonds (distance) C4'-P energy: -94.967 bonds (distance) P-C4' energy: -118.689 flat angles C4'-P-C4' energy: -119.912 flat angles P-C4'-P energy: -81.521 tors. eta vs tors. theta energy: -100.461 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: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -840.432650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.432650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.432650 (E_RNA) where: Base-Base interactions energy: -437.256 where: short stacking energy: -224.053 Base-Backbone interact. energy: -0.625 local terms energy: -402.551642 where: bonds (distance) C4'-P energy: -94.303 bonds (distance) P-C4' energy: -130.452 flat angles C4'-P-C4' energy: -97.373 flat angles P-C4'-P energy: -61.951 tors. eta vs tors. theta energy: -18.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2654.096517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.096517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.096517 (E_RNA) where: Base-Base interactions energy: -1868.657 where: short stacking energy: -771.587 Base-Backbone interact. energy: -3.278 local terms energy: -782.161507 where: bonds (distance) C4'-P energy: -139.694 bonds (distance) P-C4' energy: -132.784 flat angles C4'-P-C4' energy: -163.068 flat angles P-C4'-P energy: -115.147 tors. eta vs tors. theta energy: -231.469 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: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2597.704800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.704800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.704800 (E_RNA) where: Base-Base interactions energy: -1838.877 where: short stacking energy: -755.008 Base-Backbone interact. energy: -2.652 local terms energy: -756.175933 where: bonds (distance) C4'-P energy: -129.410 bonds (distance) P-C4' energy: -141.630 flat angles C4'-P-C4' energy: -150.945 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -227.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2520.125323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.125323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.125323 (E_RNA) where: Base-Base interactions energy: -1807.404 where: short stacking energy: -725.721 Base-Backbone interact. energy: -0.048 local terms energy: -712.672989 where: bonds (distance) C4'-P energy: -109.664 bonds (distance) P-C4' energy: -129.878 flat angles C4'-P-C4' energy: -152.794 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -228.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2472.699746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.699746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.699746 (E_RNA) where: Base-Base interactions energy: -1744.164 where: short stacking energy: -724.514 Base-Backbone interact. energy: -3.355 local terms energy: -725.180624 where: bonds (distance) C4'-P energy: -104.492 bonds (distance) P-C4' energy: -132.823 flat angles C4'-P-C4' energy: -149.033 flat angles P-C4'-P energy: -106.510 tors. eta vs tors. theta energy: -232.322 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: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2412.430721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.430721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.430721 (E_RNA) where: Base-Base interactions energy: -1711.069 where: short stacking energy: -703.447 Base-Backbone interact. energy: -0.592 local terms energy: -700.769707 where: bonds (distance) C4'-P energy: -129.154 bonds (distance) P-C4' energy: -104.962 flat angles C4'-P-C4' energy: -135.115 flat angles P-C4'-P energy: -108.930 tors. eta vs tors. theta energy: -222.608 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: 243 Temperature: 1.150000 Total energy: -2219.800129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.800129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.800129 (E_RNA) where: Base-Base interactions energy: -1554.739 where: short stacking energy: -635.860 Base-Backbone interact. energy: -2.690 local terms energy: -662.370923 where: bonds (distance) C4'-P energy: -117.354 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -135.503 flat angles P-C4'-P energy: -98.975 tors. eta vs tors. theta energy: -195.983 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: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2153.852726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.852726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.852726 (E_RNA) where: Base-Base interactions energy: -1506.136 where: short stacking energy: -604.792 Base-Backbone interact. energy: -2.601 local terms energy: -645.116147 where: bonds (distance) C4'-P energy: -113.038 bonds (distance) P-C4' energy: -125.155 flat angles C4'-P-C4' energy: -130.422 flat angles P-C4'-P energy: -87.582 tors. eta vs tors. theta energy: -188.919 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: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1959.295134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.295134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.295134 (E_RNA) where: Base-Base interactions energy: -1378.497 where: short stacking energy: -557.050 Base-Backbone interact. energy: -2.998 local terms energy: -577.799669 where: bonds (distance) C4'-P energy: -106.643 bonds (distance) P-C4' energy: -120.518 flat angles C4'-P-C4' energy: -129.997 flat angles P-C4'-P energy: -76.758 tors. eta vs tors. theta energy: -143.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1730.001266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.001266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.001266 (E_RNA) where: Base-Base interactions energy: -1202.893 where: short stacking energy: -485.102 Base-Backbone interact. energy: -0.027 local terms energy: -527.081140 where: bonds (distance) C4'-P energy: -105.615 bonds (distance) P-C4' energy: -114.681 flat angles C4'-P-C4' energy: -114.299 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -107.714 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: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -741.671867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.671867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.671867 (E_RNA) where: Base-Base interactions energy: -370.273 where: short stacking energy: -182.270 Base-Backbone interact. energy: 0.002 local terms energy: -371.400375 where: bonds (distance) C4'-P energy: -126.922 bonds (distance) P-C4' energy: -108.595 flat angles C4'-P-C4' energy: -89.471 flat angles P-C4'-P energy: -46.802 tors. eta vs tors. theta energy: 0.390 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: 244 Temperature: 0.900000 Total energy: -2672.563693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.563693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.563693 (E_RNA) where: Base-Base interactions energy: -1892.737 where: short stacking energy: -770.546 Base-Backbone interact. energy: -2.741 local terms energy: -777.085975 where: bonds (distance) C4'-P energy: -121.608 bonds (distance) P-C4' energy: -143.659 flat angles C4'-P-C4' energy: -152.629 flat angles P-C4'-P energy: -121.155 tors. eta vs tors. theta energy: -238.035 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: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2589.321421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.321421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.321421 (E_RNA) where: Base-Base interactions energy: -1837.430 where: short stacking energy: -751.737 Base-Backbone interact. energy: -1.030 local terms energy: -750.861292 where: bonds (distance) C4'-P energy: -120.621 bonds (distance) P-C4' energy: -130.983 flat angles C4'-P-C4' energy: -159.115 flat angles P-C4'-P energy: -105.063 tors. eta vs tors. theta energy: -235.080 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: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2520.199359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.199359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.199359 (E_RNA) where: Base-Base interactions energy: -1812.931 where: short stacking energy: -728.560 Base-Backbone interact. energy: 0.259 local terms energy: -707.528233 where: bonds (distance) C4'-P energy: -119.967 bonds (distance) P-C4' energy: -111.951 flat angles C4'-P-C4' energy: -148.524 flat angles P-C4'-P energy: -98.159 tors. eta vs tors. theta energy: -228.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2458.690065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.690065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.690065 (E_RNA) where: Base-Base interactions energy: -1714.808 where: short stacking energy: -719.542 Base-Backbone interact. energy: 0.907 local terms energy: -744.789717 where: bonds (distance) C4'-P energy: -127.590 bonds (distance) P-C4' energy: -138.375 flat angles C4'-P-C4' energy: -150.943 flat angles P-C4'-P energy: -100.187 tors. eta vs tors. theta energy: -227.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2389.755945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.755945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.755945 (E_RNA) where: Base-Base interactions energy: -1688.592 where: short stacking energy: -703.724 Base-Backbone interact. energy: 0.494 local terms energy: -701.657894 where: bonds (distance) C4'-P energy: -126.396 bonds (distance) P-C4' energy: -115.830 flat angles C4'-P-C4' energy: -142.274 flat angles P-C4'-P energy: -86.683 tors. eta vs tors. theta energy: -230.475 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: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2215.835245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.835245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.835245 (E_RNA) where: Base-Base interactions energy: -1569.480 where: short stacking energy: -650.866 Base-Backbone interact. energy: -2.027 local terms energy: -644.328475 where: bonds (distance) C4'-P energy: -112.158 bonds (distance) P-C4' energy: -109.119 flat angles C4'-P-C4' energy: -141.453 flat angles P-C4'-P energy: -87.612 tors. eta vs tors. theta energy: -193.987 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: 7, replica: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2132.991414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.991414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.991414 (E_RNA) where: Base-Base interactions energy: -1504.422 where: short stacking energy: -623.102 Base-Backbone interact. energy: -1.579 local terms energy: -626.989944 where: bonds (distance) C4'-P energy: -101.238 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -135.168 flat angles P-C4'-P energy: -89.948 tors. eta vs tors. theta energy: -186.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1909.460148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.460148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.460148 (E_RNA) where: Base-Base interactions energy: -1348.764 where: short stacking energy: -553.776 Base-Backbone interact. energy: 5.834 local terms energy: -566.529973 where: bonds (distance) C4'-P energy: -98.980 bonds (distance) P-C4' energy: -107.786 flat angles C4'-P-C4' energy: -129.770 flat angles P-C4'-P energy: -72.983 tors. eta vs tors. theta energy: -157.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1729.398549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.398549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.398549 (E_RNA) where: Base-Base interactions energy: -1206.087 where: short stacking energy: -470.801 Base-Backbone interact. energy: 1.348 local terms energy: -524.659679 where: bonds (distance) C4'-P energy: -108.073 bonds (distance) P-C4' energy: -100.734 flat angles C4'-P-C4' energy: -114.213 flat angles P-C4'-P energy: -84.136 tors. eta vs tors. theta energy: -117.504 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: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -724.958344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.958344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.958344 (E_RNA) where: Base-Base interactions energy: -388.763 where: short stacking energy: -215.645 Base-Backbone interact. energy: 5.474 local terms energy: -341.668793 where: bonds (distance) C4'-P energy: -102.935 bonds (distance) P-C4' energy: -119.972 flat angles C4'-P-C4' energy: -69.682 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: 0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2668.837022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.837022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.837022 (E_RNA) where: Base-Base interactions energy: -1881.983 where: short stacking energy: -771.341 Base-Backbone interact. energy: 0.122 local terms energy: -786.975757 where: bonds (distance) C4'-P energy: -139.434 bonds (distance) P-C4' energy: -137.513 flat angles C4'-P-C4' energy: -163.215 flat angles P-C4'-P energy: -123.992 tors. eta vs tors. theta energy: -222.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2592.991562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.991562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.991562 (E_RNA) where: Base-Base interactions energy: -1836.990 where: short stacking energy: -746.605 Base-Backbone interact. energy: 1.117 local terms energy: -757.118878 where: bonds (distance) C4'-P energy: -121.794 bonds (distance) P-C4' energy: -142.493 flat angles C4'-P-C4' energy: -161.340 flat angles P-C4'-P energy: -102.657 tors. eta vs tors. theta energy: -228.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2524.724808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.724808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.724808 (E_RNA) where: Base-Base interactions energy: -1809.886 where: short stacking energy: -734.911 Base-Backbone interact. energy: -1.807 local terms energy: -713.031534 where: bonds (distance) C4'-P energy: -117.875 bonds (distance) P-C4' energy: -128.822 flat angles C4'-P-C4' energy: -154.215 flat angles P-C4'-P energy: -93.369 tors. eta vs tors. theta energy: -218.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2451.857922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.857922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.857922 (E_RNA) where: Base-Base interactions energy: -1727.869 where: short stacking energy: -688.720 Base-Backbone interact. energy: 0.788 local terms energy: -724.776733 where: bonds (distance) C4'-P energy: -129.419 bonds (distance) P-C4' energy: -135.490 flat angles C4'-P-C4' energy: -144.790 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -220.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2409.953062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.953062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.953062 (E_RNA) where: Base-Base interactions energy: -1720.287 where: short stacking energy: -682.646 Base-Backbone interact. energy: -1.626 local terms energy: -688.039955 where: bonds (distance) C4'-P energy: -118.928 bonds (distance) P-C4' energy: -127.093 flat angles C4'-P-C4' energy: -137.605 flat angles P-C4'-P energy: -95.751 tors. eta vs tors. theta energy: -208.662 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: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2247.879394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.879394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.879394 (E_RNA) where: Base-Base interactions energy: -1600.957 where: short stacking energy: -666.443 Base-Backbone interact. energy: -0.372 local terms energy: -646.550575 where: bonds (distance) C4'-P energy: -114.618 bonds (distance) P-C4' energy: -111.631 flat angles C4'-P-C4' energy: -141.999 flat angles P-C4'-P energy: -78.938 tors. eta vs tors. theta energy: -199.364 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: 1 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2143.939796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.939796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.939796 (E_RNA) where: Base-Base interactions energy: -1518.283 where: short stacking energy: -618.974 Base-Backbone interact. energy: -2.146 local terms energy: -623.511006 where: bonds (distance) C4'-P energy: -120.613 bonds (distance) P-C4' energy: -126.773 flat angles C4'-P-C4' energy: -120.141 flat angles P-C4'-P energy: -71.009 tors. eta vs tors. theta energy: -184.975 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: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1902.401555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.401555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.401555 (E_RNA) where: Base-Base interactions energy: -1333.540 where: short stacking energy: -546.685 Base-Backbone interact. energy: 0.581 local terms energy: -569.442190 where: bonds (distance) C4'-P energy: -109.103 bonds (distance) P-C4' energy: -122.042 flat angles C4'-P-C4' energy: -108.561 flat angles P-C4'-P energy: -90.946 tors. eta vs tors. theta energy: -138.790 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: 245 Temperature: 1.300000 Total energy: -1690.722489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.722489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.722489 (E_RNA) where: Base-Base interactions energy: -1196.426 where: short stacking energy: -478.645 Base-Backbone interact. energy: 2.988 local terms energy: -497.284328 where: bonds (distance) C4'-P energy: -97.241 bonds (distance) P-C4' energy: -100.295 flat angles C4'-P-C4' energy: -115.496 flat angles P-C4'-P energy: -66.474 tors. eta vs tors. theta energy: -117.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -725.964047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.964047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.964047 (E_RNA) where: Base-Base interactions energy: -361.553 where: short stacking energy: -224.627 Base-Backbone interact. energy: -1.835 local terms energy: -362.576041 where: bonds (distance) C4'-P energy: -122.474 bonds (distance) P-C4' energy: -110.291 flat angles C4'-P-C4' energy: -81.491 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2662.776311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.776311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.776311 (E_RNA) where: Base-Base interactions energy: -1864.033 where: short stacking energy: -764.971 Base-Backbone interact. energy: -4.105 local terms energy: -794.638336 where: bonds (distance) C4'-P energy: -143.492 bonds (distance) P-C4' energy: -126.351 flat angles C4'-P-C4' energy: -170.064 flat angles P-C4'-P energy: -117.117 tors. eta vs tors. theta energy: -237.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2582.125124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.125124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.125124 (E_RNA) where: Base-Base interactions energy: -1837.867 where: short stacking energy: -764.718 Base-Backbone interact. energy: -1.620 local terms energy: -742.637868 where: bonds (distance) C4'-P energy: -135.202 bonds (distance) P-C4' energy: -126.034 flat angles C4'-P-C4' energy: -141.100 flat angles P-C4'-P energy: -112.990 tors. eta vs tors. theta energy: -227.312 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: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2499.468542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.468542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.468542 (E_RNA) where: Base-Base interactions energy: -1775.738 where: short stacking energy: -734.417 Base-Backbone interact. energy: 0.931 local terms energy: -724.662123 where: bonds (distance) C4'-P energy: -126.778 bonds (distance) P-C4' energy: -113.128 flat angles C4'-P-C4' energy: -154.725 flat angles P-C4'-P energy: -106.640 tors. eta vs tors. theta energy: -223.391 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: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2458.471349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.471349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.471349 (E_RNA) where: Base-Base interactions energy: -1762.251 where: short stacking energy: -688.874 Base-Backbone interact. energy: -2.614 local terms energy: -693.606514 where: bonds (distance) C4'-P energy: -113.088 bonds (distance) P-C4' energy: -112.069 flat angles C4'-P-C4' energy: -139.357 flat angles P-C4'-P energy: -106.173 tors. eta vs tors. theta energy: -222.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2370.003642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.003642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.003642 (E_RNA) where: Base-Base interactions energy: -1690.411 where: short stacking energy: -683.246 Base-Backbone interact. energy: -0.730 local terms energy: -678.862544 where: bonds (distance) C4'-P energy: -109.188 bonds (distance) P-C4' energy: -122.998 flat angles C4'-P-C4' energy: -146.010 flat angles P-C4'-P energy: -89.987 tors. eta vs tors. theta energy: -210.679 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: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2297.871498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.871498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.871498 (E_RNA) where: Base-Base interactions energy: -1621.955 where: short stacking energy: -660.153 Base-Backbone interact. energy: -3.033 local terms energy: -672.883549 where: bonds (distance) C4'-P energy: -121.652 bonds (distance) P-C4' energy: -109.528 flat angles C4'-P-C4' energy: -138.005 flat angles P-C4'-P energy: -96.958 tors. eta vs tors. theta energy: -206.741 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: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2114.867609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.867609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.867609 (E_RNA) where: Base-Base interactions energy: -1505.775 where: short stacking energy: -605.940 Base-Backbone interact. energy: 4.895 local terms energy: -613.987565 where: bonds (distance) C4'-P energy: -104.822 bonds (distance) P-C4' energy: -103.890 flat angles C4'-P-C4' energy: -150.471 flat angles P-C4'-P energy: -86.682 tors. eta vs tors. theta energy: -168.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1928.585383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.585383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.585383 (E_RNA) where: Base-Base interactions energy: -1355.451 where: short stacking energy: -561.292 Base-Backbone interact. energy: 0.102 local terms energy: -573.236116 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -101.372 flat angles C4'-P-C4' energy: -119.935 flat angles P-C4'-P energy: -97.569 tors. eta vs tors. theta energy: -153.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1672.982742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.982742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.982742 (E_RNA) where: Base-Base interactions energy: -1160.059 where: short stacking energy: -460.566 Base-Backbone interact. energy: 3.337 local terms energy: -516.260975 where: bonds (distance) C4'-P energy: -119.183 bonds (distance) P-C4' energy: -114.764 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -107.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -748.695144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.695144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.695144 (E_RNA) where: Base-Base interactions energy: -373.184 where: short stacking energy: -218.828 Base-Backbone interact. energy: -3.714 local terms energy: -371.796813 where: bonds (distance) C4'-P energy: -110.844 bonds (distance) P-C4' energy: -130.031 flat angles C4'-P-C4' energy: -87.552 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2689.283133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.283133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.283133 (E_RNA) where: Base-Base interactions energy: -1893.482 where: short stacking energy: -787.272 Base-Backbone interact. energy: -2.246 local terms energy: -793.555077 where: bonds (distance) C4'-P energy: -129.643 bonds (distance) P-C4' energy: -132.867 flat angles C4'-P-C4' energy: -165.121 flat angles P-C4'-P energy: -125.358 tors. eta vs tors. theta energy: -240.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2580.858520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.858520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.858520 (E_RNA) where: Base-Base interactions energy: -1816.863 where: short stacking energy: -733.450 Base-Backbone interact. energy: -1.463 local terms energy: -762.532319 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -135.882 flat angles C4'-P-C4' energy: -159.155 flat angles P-C4'-P energy: -108.355 tors. eta vs tors. theta energy: -222.293 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: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2510.882736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.882736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.882736 (E_RNA) where: Base-Base interactions energy: -1786.173 where: short stacking energy: -726.600 Base-Backbone interact. energy: -0.683 local terms energy: -724.026850 where: bonds (distance) C4'-P energy: -127.858 bonds (distance) P-C4' energy: -128.139 flat angles C4'-P-C4' energy: -143.726 flat angles P-C4'-P energy: -108.225 tors. eta vs tors. theta energy: -216.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2459.115086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.115086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.115086 (E_RNA) where: Base-Base interactions energy: -1764.720 where: short stacking energy: -694.149 Base-Backbone interact. energy: 0.141 local terms energy: -694.536639 where: bonds (distance) C4'-P energy: -108.818 bonds (distance) P-C4' energy: -127.215 flat angles C4'-P-C4' energy: -147.881 flat angles P-C4'-P energy: -96.767 tors. eta vs tors. theta energy: -213.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2402.746684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.746684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.746684 (E_RNA) where: Base-Base interactions energy: -1720.348 where: short stacking energy: -707.591 Base-Backbone interact. energy: -1.585 local terms energy: -680.813687 where: bonds (distance) C4'-P energy: -116.690 bonds (distance) P-C4' energy: -106.916 flat angles C4'-P-C4' energy: -151.810 flat angles P-C4'-P energy: -88.068 tors. eta vs tors. theta energy: -217.329 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: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2311.826901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.826901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.826901 (E_RNA) where: Base-Base interactions energy: -1610.348 where: short stacking energy: -662.903 Base-Backbone interact. energy: -6.212 local terms energy: -695.266988 where: bonds (distance) C4'-P energy: -124.100 bonds (distance) P-C4' energy: -119.161 flat angles C4'-P-C4' energy: -143.913 flat angles P-C4'-P energy: -101.226 tors. eta vs tors. theta energy: -206.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2212.829412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.829412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.829412 (E_RNA) where: Base-Base interactions energy: -1568.936 where: short stacking energy: -641.131 Base-Backbone interact. energy: -2.006 local terms energy: -641.887370 where: bonds (distance) C4'-P energy: -112.862 bonds (distance) P-C4' energy: -125.214 flat angles C4'-P-C4' energy: -122.853 flat angles P-C4'-P energy: -93.791 tors. eta vs tors. theta energy: -187.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1936.821865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.821865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.821865 (E_RNA) where: Base-Base interactions energy: -1366.598 where: short stacking energy: -551.170 Base-Backbone interact. energy: -1.307 local terms energy: -568.916958 where: bonds (distance) C4'-P energy: -95.114 bonds (distance) P-C4' energy: -116.813 flat angles C4'-P-C4' energy: -127.437 flat angles P-C4'-P energy: -82.947 tors. eta vs tors. theta energy: -146.606 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: 247 Temperature: 1.300000 Total energy: -1692.962812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.962812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.962812 (E_RNA) where: Base-Base interactions energy: -1166.872 where: short stacking energy: -471.533 Base-Backbone interact. energy: 0.340 local terms energy: -526.431081 where: bonds (distance) C4'-P energy: -103.814 bonds (distance) P-C4' energy: -110.882 flat angles C4'-P-C4' energy: -124.129 flat angles P-C4'-P energy: -68.471 tors. eta vs tors. theta energy: -119.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -768.665944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.665944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.665944 (E_RNA) where: Base-Base interactions energy: -408.693 where: short stacking energy: -207.420 Base-Backbone interact. energy: 4.965 local terms energy: -364.937681 where: bonds (distance) C4'-P energy: -128.703 bonds (distance) P-C4' energy: -116.904 flat angles C4'-P-C4' energy: -81.243 flat angles P-C4'-P energy: -51.913 tors. eta vs tors. theta energy: 13.825 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: 248 Temperature: 0.900000 Total energy: -2661.120083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.120083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.120083 (E_RNA) where: Base-Base interactions energy: -1894.553 where: short stacking energy: -782.294 Base-Backbone interact. energy: -1.426 local terms energy: -765.140523 where: bonds (distance) C4'-P energy: -133.237 bonds (distance) P-C4' energy: -134.525 flat angles C4'-P-C4' energy: -159.640 flat angles P-C4'-P energy: -109.554 tors. eta vs tors. theta energy: -228.185 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: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2589.795777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.795777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.795777 (E_RNA) where: Base-Base interactions energy: -1819.508 where: short stacking energy: -749.688 Base-Backbone interact. energy: -3.401 local terms energy: -766.886588 where: bonds (distance) C4'-P energy: -125.693 bonds (distance) P-C4' energy: -125.968 flat angles C4'-P-C4' energy: -162.810 flat angles P-C4'-P energy: -120.645 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: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2531.989803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.989803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.989803 (E_RNA) where: Base-Base interactions energy: -1793.317 where: short stacking energy: -737.676 Base-Backbone interact. energy: -1.071 local terms energy: -737.600859 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -138.250 flat angles C4'-P-C4' energy: -155.027 flat angles P-C4'-P energy: -107.470 tors. eta vs tors. theta energy: -229.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2438.447152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.447152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.447152 (E_RNA) where: Base-Base interactions energy: -1719.836 where: short stacking energy: -681.281 Base-Backbone interact. energy: -3.261 local terms energy: -715.350364 where: bonds (distance) C4'-P energy: -124.872 bonds (distance) P-C4' energy: -128.548 flat angles C4'-P-C4' energy: -162.512 flat angles P-C4'-P energy: -96.132 tors. eta vs tors. theta energy: -203.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2413.714685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.714685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.714685 (E_RNA) where: Base-Base interactions energy: -1718.803 where: short stacking energy: -682.501 Base-Backbone interact. energy: -0.520 local terms energy: -694.391103 where: bonds (distance) C4'-P energy: -120.553 bonds (distance) P-C4' energy: -121.028 flat angles C4'-P-C4' energy: -151.358 flat angles P-C4'-P energy: -93.221 tors. eta vs tors. theta energy: -208.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2309.053853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.053853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.053853 (E_RNA) where: Base-Base interactions energy: -1627.866 where: short stacking energy: -681.222 Base-Backbone interact. energy: 0.746 local terms energy: -681.933292 where: bonds (distance) C4'-P energy: -126.650 bonds (distance) P-C4' energy: -106.904 flat angles C4'-P-C4' energy: -149.287 flat angles P-C4'-P energy: -95.220 tors. eta vs tors. theta energy: -203.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2183.283061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.283061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.283061 (E_RNA) where: Base-Base interactions energy: -1535.640 where: short stacking energy: -623.609 Base-Backbone interact. energy: -1.636 local terms energy: -646.007425 where: bonds (distance) C4'-P energy: -109.834 bonds (distance) P-C4' energy: -114.353 flat angles C4'-P-C4' energy: -136.076 flat angles P-C4'-P energy: -97.343 tors. eta vs tors. theta energy: -188.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1892.887150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.887150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.887150 (E_RNA) where: Base-Base interactions energy: -1310.758 where: short stacking energy: -558.474 Base-Backbone interact. energy: 0.019 local terms energy: -582.147906 where: bonds (distance) C4'-P energy: -98.211 bonds (distance) P-C4' energy: -110.670 flat angles C4'-P-C4' energy: -130.687 flat angles P-C4'-P energy: -80.491 tors. eta vs tors. theta energy: -162.090 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: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1642.078798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.078798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.078798 (E_RNA) where: Base-Base interactions energy: -1115.755 where: short stacking energy: -469.038 Base-Backbone interact. energy: -1.652 local terms energy: -524.672031 where: bonds (distance) C4'-P energy: -101.576 bonds (distance) P-C4' energy: -117.723 flat angles C4'-P-C4' energy: -128.499 flat angles P-C4'-P energy: -62.408 tors. eta vs tors. theta energy: -114.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -867.376913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.376913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.376913 (E_RNA) where: Base-Base interactions energy: -479.906 where: short stacking energy: -246.365 Base-Backbone interact. energy: -2.834 local terms energy: -384.636739 where: bonds (distance) C4'-P energy: -95.810 bonds (distance) P-C4' energy: -132.989 flat angles C4'-P-C4' energy: -96.231 flat angles P-C4'-P energy: -62.882 tors. eta vs tors. theta energy: 3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2663.798597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.798597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.798597 (E_RNA) where: Base-Base interactions energy: -1902.386 where: short stacking energy: -771.097 Base-Backbone interact. energy: 0.409 local terms energy: -761.821121 where: bonds (distance) C4'-P energy: -126.562 bonds (distance) P-C4' energy: -127.296 flat angles C4'-P-C4' energy: -154.251 flat angles P-C4'-P energy: -109.915 tors. eta vs tors. theta energy: -243.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2583.677590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.677590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.677590 (E_RNA) where: Base-Base interactions energy: -1829.429 where: short stacking energy: -770.173 Base-Backbone interact. energy: -1.387 local terms energy: -752.861417 where: bonds (distance) C4'-P energy: -112.368 bonds (distance) P-C4' energy: -147.654 flat angles C4'-P-C4' energy: -154.023 flat angles P-C4'-P energy: -107.687 tors. eta vs tors. theta energy: -231.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2525.601923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.601923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.601923 (E_RNA) where: Base-Base interactions energy: -1780.773 where: short stacking energy: -728.541 Base-Backbone interact. energy: -2.905 local terms energy: -741.923502 where: bonds (distance) C4'-P energy: -133.485 bonds (distance) P-C4' energy: -115.480 flat angles C4'-P-C4' energy: -156.896 flat angles P-C4'-P energy: -103.898 tors. eta vs tors. theta energy: -232.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2474.485436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.485436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.485436 (E_RNA) where: Base-Base interactions energy: -1739.649 where: short stacking energy: -702.016 Base-Backbone interact. energy: 1.348 local terms energy: -736.184639 where: bonds (distance) C4'-P energy: -131.847 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -149.422 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -213.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2340.532590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.532590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.532590 (E_RNA) where: Base-Base interactions energy: -1658.991 where: short stacking energy: -703.134 Base-Backbone interact. energy: 1.186 local terms energy: -682.728051 where: bonds (distance) C4'-P energy: -120.343 bonds (distance) P-C4' energy: -91.729 flat angles C4'-P-C4' energy: -138.072 flat angles P-C4'-P energy: -100.722 tors. eta vs tors. theta energy: -231.863 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: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2289.598801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.598801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.598801 (E_RNA) where: Base-Base interactions energy: -1630.223 where: short stacking energy: -680.013 Base-Backbone interact. energy: -0.454 local terms energy: -658.921405 where: bonds (distance) C4'-P energy: -115.649 bonds (distance) P-C4' energy: -108.659 flat angles C4'-P-C4' energy: -139.311 flat angles P-C4'-P energy: -88.203 tors. eta vs tors. theta energy: -207.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2169.883253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.883253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.883253 (E_RNA) where: Base-Base interactions energy: -1530.618 where: short stacking energy: -620.101 Base-Backbone interact. energy: 0.883 local terms energy: -640.148674 where: bonds (distance) C4'-P energy: -117.115 bonds (distance) P-C4' energy: -110.717 flat angles C4'-P-C4' energy: -131.635 flat angles P-C4'-P energy: -96.877 tors. eta vs tors. theta energy: -183.805 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: 249 Temperature: 1.250000 Total energy: -1899.668126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.668126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.668126 (E_RNA) where: Base-Base interactions energy: -1311.841 where: short stacking energy: -551.947 Base-Backbone interact. energy: -2.338 local terms energy: -585.489313 where: bonds (distance) C4'-P energy: -110.698 bonds (distance) P-C4' energy: -112.611 flat angles C4'-P-C4' energy: -132.828 flat angles P-C4'-P energy: -87.899 tors. eta vs tors. theta energy: -141.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1638.164065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.164065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.164065 (E_RNA) where: Base-Base interactions energy: -1092.451 where: short stacking energy: -466.874 Base-Backbone interact. energy: -2.469 local terms energy: -543.244774 where: bonds (distance) C4'-P energy: -102.877 bonds (distance) P-C4' energy: -98.617 flat angles C4'-P-C4' energy: -126.730 flat angles P-C4'-P energy: -89.819 tors. eta vs tors. theta energy: -125.201 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: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -779.116680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.116680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.116680 (E_RNA) where: Base-Base interactions energy: -425.279 where: short stacking energy: -225.390 Base-Backbone interact. energy: 1.405 local terms energy: -355.242180 where: bonds (distance) C4'-P energy: -91.572 bonds (distance) P-C4' energy: -99.901 flat angles C4'-P-C4' energy: -108.576 flat angles P-C4'-P energy: -58.040 tors. eta vs tors. theta energy: 2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2654.331342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.331342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.331342 (E_RNA) where: Base-Base interactions energy: -1862.477 where: short stacking energy: -771.741 Base-Backbone interact. energy: -1.570 local terms energy: -790.284911 where: bonds (distance) C4'-P energy: -134.900 bonds (distance) P-C4' energy: -138.200 flat angles C4'-P-C4' energy: -167.114 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -243.198 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: 250 Temperature: 0.950000 Total energy: -2571.326354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.326354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.326354 (E_RNA) where: Base-Base interactions energy: -1827.589 where: short stacking energy: -755.707 Base-Backbone interact. energy: -0.564 local terms energy: -743.173264 where: bonds (distance) C4'-P energy: -113.537 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -163.406 flat angles P-C4'-P energy: -104.944 tors. eta vs tors. theta energy: -232.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2549.796882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.796882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.796882 (E_RNA) where: Base-Base interactions energy: -1811.267 where: short stacking energy: -742.497 Base-Backbone interact. energy: -3.398 local terms energy: -735.132278 where: bonds (distance) C4'-P energy: -127.395 bonds (distance) P-C4' energy: -124.167 flat angles C4'-P-C4' energy: -145.169 flat angles P-C4'-P energy: -108.385 tors. eta vs tors. theta energy: -230.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2457.840099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.840099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.840099 (E_RNA) where: Base-Base interactions energy: -1757.221 where: short stacking energy: -713.296 Base-Backbone interact. energy: -1.275 local terms energy: -699.343798 where: bonds (distance) C4'-P energy: -119.308 bonds (distance) P-C4' energy: -119.423 flat angles C4'-P-C4' energy: -148.138 flat angles P-C4'-P energy: -87.467 tors. eta vs tors. theta energy: -225.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2401.251888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.251888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.251888 (E_RNA) where: Base-Base interactions energy: -1691.602 where: short stacking energy: -689.244 Base-Backbone interact. energy: -0.709 local terms energy: -708.940623 where: bonds (distance) C4'-P energy: -132.330 bonds (distance) P-C4' energy: -102.935 flat angles C4'-P-C4' energy: -155.110 flat angles P-C4'-P energy: -100.483 tors. eta vs tors. theta energy: -218.082 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: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2301.739326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.739326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.739326 (E_RNA) where: Base-Base interactions energy: -1650.996 where: short stacking energy: -682.461 Base-Backbone interact. energy: -2.272 local terms energy: -648.471461 where: bonds (distance) C4'-P energy: -99.352 bonds (distance) P-C4' energy: -124.763 flat angles C4'-P-C4' energy: -137.542 flat angles P-C4'-P energy: -90.531 tors. eta vs tors. theta energy: -196.283 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: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2188.044835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.044835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.044835 (E_RNA) where: Base-Base interactions energy: -1555.070 where: short stacking energy: -638.688 Base-Backbone interact. energy: 0.057 local terms energy: -633.031816 where: bonds (distance) C4'-P energy: -125.582 bonds (distance) P-C4' energy: -115.320 flat angles C4'-P-C4' energy: -129.644 flat angles P-C4'-P energy: -77.363 tors. eta vs tors. theta energy: -185.122 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: 8, replica: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1951.971272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.971272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.971272 (E_RNA) where: Base-Base interactions energy: -1385.169 where: short stacking energy: -546.536 Base-Backbone interact. energy: -1.424 local terms energy: -565.378122 where: bonds (distance) C4'-P energy: -93.284 bonds (distance) P-C4' energy: -106.941 flat angles C4'-P-C4' energy: -121.873 flat angles P-C4'-P energy: -90.830 tors. eta vs tors. theta energy: -152.451 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: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1648.146188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.146188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.146188 (E_RNA) where: Base-Base interactions energy: -1128.333 where: short stacking energy: -467.238 Base-Backbone interact. energy: -3.259 local terms energy: -516.554865 where: bonds (distance) C4'-P energy: -102.731 bonds (distance) P-C4' energy: -114.229 flat angles C4'-P-C4' energy: -107.357 flat angles P-C4'-P energy: -78.195 tors. eta vs tors. theta energy: -114.043 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: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -765.718143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.718143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.718143 (E_RNA) where: Base-Base interactions energy: -404.999 where: short stacking energy: -197.697 Base-Backbone interact. energy: -0.830 local terms energy: -359.889148 where: bonds (distance) C4'-P energy: -93.213 bonds (distance) P-C4' energy: -100.938 flat angles C4'-P-C4' energy: -95.411 flat angles P-C4'-P energy: -72.172 tors. eta vs tors. theta energy: 1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2666.266460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.266460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.266460 (E_RNA) where: Base-Base interactions energy: -1870.397 where: short stacking energy: -771.020 Base-Backbone interact. energy: -4.666 local terms energy: -791.203496 where: bonds (distance) C4'-P energy: -146.291 bonds (distance) P-C4' energy: -143.758 flat angles C4'-P-C4' energy: -158.794 flat angles P-C4'-P energy: -110.143 tors. eta vs tors. theta energy: -232.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2583.142809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.142809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.142809 (E_RNA) where: Base-Base interactions energy: -1814.635 where: short stacking energy: -759.468 Base-Backbone interact. energy: 0.238 local terms energy: -768.746027 where: bonds (distance) C4'-P energy: -132.885 bonds (distance) P-C4' energy: -140.313 flat angles C4'-P-C4' energy: -162.069 flat angles P-C4'-P energy: -100.694 tors. eta vs tors. theta energy: -232.785 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: 251 Temperature: 1.000000 Total energy: -2517.917236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.917236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.917236 (E_RNA) where: Base-Base interactions energy: -1781.895 where: short stacking energy: -745.927 Base-Backbone interact. energy: -0.489 local terms energy: -735.532872 where: bonds (distance) C4'-P energy: -124.556 bonds (distance) P-C4' energy: -132.548 flat angles C4'-P-C4' energy: -156.632 flat angles P-C4'-P energy: -95.141 tors. eta vs tors. theta energy: -226.656 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: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2457.701869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.701869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.701869 (E_RNA) where: Base-Base interactions energy: -1760.569 where: short stacking energy: -697.608 Base-Backbone interact. energy: 0.320 local terms energy: -697.453316 where: bonds (distance) C4'-P energy: -115.283 bonds (distance) P-C4' energy: -120.170 flat angles C4'-P-C4' energy: -143.719 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -214.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2365.174868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.174868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.174868 (E_RNA) where: Base-Base interactions energy: -1686.523 where: short stacking energy: -712.823 Base-Backbone interact. energy: -1.129 local terms energy: -677.522887 where: bonds (distance) C4'-P energy: -119.116 bonds (distance) P-C4' energy: -120.998 flat angles C4'-P-C4' energy: -135.719 flat angles P-C4'-P energy: -94.933 tors. eta vs tors. theta energy: -206.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2283.777488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.777488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.777488 (E_RNA) where: Base-Base interactions energy: -1636.126 where: short stacking energy: -647.528 Base-Backbone interact. energy: 0.636 local terms energy: -648.287940 where: bonds (distance) C4'-P energy: -109.285 bonds (distance) P-C4' energy: -112.218 flat angles C4'-P-C4' energy: -142.981 flat angles P-C4'-P energy: -86.301 tors. eta vs tors. theta energy: -197.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2147.438001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.438001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.438001 (E_RNA) where: Base-Base interactions energy: -1527.390 where: short stacking energy: -645.083 Base-Backbone interact. energy: 1.715 local terms energy: -621.763574 where: bonds (distance) C4'-P energy: -111.830 bonds (distance) P-C4' energy: -103.920 flat angles C4'-P-C4' energy: -138.677 flat angles P-C4'-P energy: -88.865 tors. eta vs tors. theta energy: -178.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1998.692015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.692015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.692015 (E_RNA) where: Base-Base interactions energy: -1424.558 where: short stacking energy: -549.763 Base-Backbone interact. energy: 4.919 local terms energy: -579.052778 where: bonds (distance) C4'-P energy: -90.018 bonds (distance) P-C4' energy: -128.335 flat angles C4'-P-C4' energy: -124.687 flat angles P-C4'-P energy: -90.190 tors. eta vs tors. theta energy: -145.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1623.543682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.543682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.543682 (E_RNA) where: Base-Base interactions energy: -1087.013 where: short stacking energy: -460.874 Base-Backbone interact. energy: -0.347 local terms energy: -536.183503 where: bonds (distance) C4'-P energy: -111.689 bonds (distance) P-C4' energy: -103.610 flat angles C4'-P-C4' energy: -128.575 flat angles P-C4'-P energy: -79.837 tors. eta vs tors. theta energy: -112.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -772.139647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.139647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.139647 (E_RNA) where: Base-Base interactions energy: -375.800 where: short stacking energy: -203.176 Base-Backbone interact. energy: -0.550 local terms energy: -395.789537 where: bonds (distance) C4'-P energy: -96.781 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -108.271 flat angles P-C4'-P energy: -77.757 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2652.532433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.532433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.532433 (E_RNA) where: Base-Base interactions energy: -1867.178 where: short stacking energy: -764.205 Base-Backbone interact. energy: -3.263 local terms energy: -782.091479 where: bonds (distance) C4'-P energy: -141.982 bonds (distance) P-C4' energy: -138.456 flat angles C4'-P-C4' energy: -152.781 flat angles P-C4'-P energy: -109.245 tors. eta vs tors. theta energy: -239.628 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: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2592.912401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.912401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.912401 (E_RNA) where: Base-Base interactions energy: -1837.478 where: short stacking energy: -749.775 Base-Backbone interact. energy: -3.440 local terms energy: -751.995225 where: bonds (distance) C4'-P energy: -120.035 bonds (distance) P-C4' energy: -133.491 flat angles C4'-P-C4' energy: -163.546 flat angles P-C4'-P energy: -102.461 tors. eta vs tors. theta energy: -232.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2520.621534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.621534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.621534 (E_RNA) where: Base-Base interactions energy: -1790.949 where: short stacking energy: -709.967 Base-Backbone interact. energy: -2.073 local terms energy: -727.598926 where: bonds (distance) C4'-P energy: -127.788 bonds (distance) P-C4' energy: -121.988 flat angles C4'-P-C4' energy: -159.069 flat angles P-C4'-P energy: -106.441 tors. eta vs tors. theta energy: -212.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2463.882847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.882847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.882847 (E_RNA) where: Base-Base interactions energy: -1747.622 where: short stacking energy: -698.329 Base-Backbone interact. energy: -1.189 local terms energy: -715.071742 where: bonds (distance) C4'-P energy: -126.439 bonds (distance) P-C4' energy: -116.873 flat angles C4'-P-C4' energy: -151.310 flat angles P-C4'-P energy: -106.018 tors. eta vs tors. theta energy: -214.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2349.171344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.171344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.171344 (E_RNA) where: Base-Base interactions energy: -1686.797 where: short stacking energy: -691.052 Base-Backbone interact. energy: 1.055 local terms energy: -663.429041 where: bonds (distance) C4'-P energy: -89.841 bonds (distance) P-C4' energy: -126.280 flat angles C4'-P-C4' energy: -140.224 flat angles P-C4'-P energy: -89.391 tors. eta vs tors. theta energy: -217.694 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: 252 Temperature: 1.150000 Total energy: -2238.788415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.788415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.788415 (E_RNA) where: Base-Base interactions energy: -1594.872 where: short stacking energy: -660.195 Base-Backbone interact. energy: -1.737 local terms energy: -642.178983 where: bonds (distance) C4'-P energy: -116.059 bonds (distance) P-C4' energy: -122.735 flat angles C4'-P-C4' energy: -120.526 flat angles P-C4'-P energy: -77.716 tors. eta vs tors. theta energy: -205.143 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: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2162.736149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.736149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.736149 (E_RNA) where: Base-Base interactions energy: -1500.154 where: short stacking energy: -638.361 Base-Backbone interact. energy: 1.625 local terms energy: -664.207412 where: bonds (distance) C4'-P energy: -121.361 bonds (distance) P-C4' energy: -117.452 flat angles C4'-P-C4' energy: -140.839 flat angles P-C4'-P energy: -87.417 tors. eta vs tors. theta energy: -197.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -2023.526289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.526289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.526289 (E_RNA) where: Base-Base interactions energy: -1466.820 where: short stacking energy: -597.491 Base-Backbone interact. energy: 1.017 local terms energy: -557.722664 where: bonds (distance) C4'-P energy: -96.864 bonds (distance) P-C4' energy: -103.079 flat angles C4'-P-C4' energy: -117.476 flat angles P-C4'-P energy: -80.098 tors. eta vs tors. theta energy: -160.206 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: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1719.973544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.973544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.973544 (E_RNA) where: Base-Base interactions energy: -1195.611 where: short stacking energy: -482.970 Base-Backbone interact. energy: -2.602 local terms energy: -521.760572 where: bonds (distance) C4'-P energy: -103.289 bonds (distance) P-C4' energy: -89.262 flat angles C4'-P-C4' energy: -133.801 flat angles P-C4'-P energy: -79.461 tors. eta vs tors. theta energy: -115.947 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: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -775.884215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.884215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.884215 (E_RNA) where: Base-Base interactions energy: -382.318 where: short stacking energy: -214.349 Base-Backbone interact. energy: 0.495 local terms energy: -394.061846 where: bonds (distance) C4'-P energy: -106.035 bonds (distance) P-C4' energy: -128.539 flat angles C4'-P-C4' energy: -100.593 flat angles P-C4'-P energy: -65.330 tors. eta vs tors. theta energy: 6.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2629.125435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.125435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.125435 (E_RNA) where: Base-Base interactions energy: -1883.955 where: short stacking energy: -761.854 Base-Backbone interact. energy: -2.014 local terms energy: -743.156386 where: bonds (distance) C4'-P energy: -133.352 bonds (distance) P-C4' energy: -132.227 flat angles C4'-P-C4' energy: -147.678 flat angles P-C4'-P energy: -110.571 tors. eta vs tors. theta energy: -219.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2594.411424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.411424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.411424 (E_RNA) where: Base-Base interactions energy: -1840.653 where: short stacking energy: -749.700 Base-Backbone interact. energy: -1.098 local terms energy: -752.660752 where: bonds (distance) C4'-P energy: -132.885 bonds (distance) P-C4' energy: -134.157 flat angles C4'-P-C4' energy: -152.500 flat angles P-C4'-P energy: -97.561 tors. eta vs tors. theta energy: -235.557 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: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2505.602813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.602813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.602813 (E_RNA) where: Base-Base interactions energy: -1781.031 where: short stacking energy: -697.155 Base-Backbone interact. energy: 0.625 local terms energy: -725.197537 where: bonds (distance) C4'-P energy: -125.791 bonds (distance) P-C4' energy: -120.150 flat angles C4'-P-C4' energy: -144.786 flat angles P-C4'-P energy: -113.734 tors. eta vs tors. theta energy: -220.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2413.611027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.611027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.611027 (E_RNA) where: Base-Base interactions energy: -1702.611 where: short stacking energy: -719.839 Base-Backbone interact. energy: -1.390 local terms energy: -709.610458 where: bonds (distance) C4'-P energy: -115.080 bonds (distance) P-C4' energy: -108.688 flat angles C4'-P-C4' energy: -156.337 flat angles P-C4'-P energy: -105.485 tors. eta vs tors. theta energy: -224.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2348.019912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.019912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.019912 (E_RNA) where: Base-Base interactions energy: -1667.069 where: short stacking energy: -666.334 Base-Backbone interact. energy: -0.479 local terms energy: -680.472230 where: bonds (distance) C4'-P energy: -118.865 bonds (distance) P-C4' energy: -112.135 flat angles C4'-P-C4' energy: -136.108 flat angles P-C4'-P energy: -97.732 tors. eta vs tors. theta energy: -215.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2249.947830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.947830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.947830 (E_RNA) where: Base-Base interactions energy: -1583.747 where: short stacking energy: -626.556 Base-Backbone interact. energy: 0.413 local terms energy: -666.613678 where: bonds (distance) C4'-P energy: -132.288 bonds (distance) P-C4' energy: -116.805 flat angles C4'-P-C4' energy: -130.096 flat angles P-C4'-P energy: -99.289 tors. eta vs tors. theta energy: -188.136 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: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2153.947269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.947269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.947269 (E_RNA) where: Base-Base interactions energy: -1523.602 where: short stacking energy: -635.420 Base-Backbone interact. energy: -0.278 local terms energy: -630.067343 where: bonds (distance) C4'-P energy: -119.306 bonds (distance) P-C4' energy: -102.897 flat angles C4'-P-C4' energy: -133.372 flat angles P-C4'-P energy: -87.877 tors. eta vs tors. theta energy: -186.615 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: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -2044.322590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.322590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.322590 (E_RNA) where: Base-Base interactions energy: -1441.100 where: short stacking energy: -578.090 Base-Backbone interact. energy: -0.418 local terms energy: -602.804342 where: bonds (distance) C4'-P energy: -114.713 bonds (distance) P-C4' energy: -104.297 flat angles C4'-P-C4' energy: -137.870 flat angles P-C4'-P energy: -78.340 tors. eta vs tors. theta energy: -167.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1766.511668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.511668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.511668 (E_RNA) where: Base-Base interactions energy: -1234.175 where: short stacking energy: -483.673 Base-Backbone interact. energy: -2.928 local terms energy: -529.408681 where: bonds (distance) C4'-P energy: -88.117 bonds (distance) P-C4' energy: -105.831 flat angles C4'-P-C4' energy: -115.458 flat angles P-C4'-P energy: -88.575 tors. eta vs tors. theta energy: -131.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -755.480522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.480522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.480522 (E_RNA) where: Base-Base interactions energy: -398.350 where: short stacking energy: -231.405 Base-Backbone interact. energy: -3.288 local terms energy: -353.842657 where: bonds (distance) C4'-P energy: -106.892 bonds (distance) P-C4' energy: -106.023 flat angles C4'-P-C4' energy: -86.026 flat angles P-C4'-P energy: -47.513 tors. eta vs tors. theta energy: -7.389 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: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2645.072179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.072179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.072179 (E_RNA) where: Base-Base interactions energy: -1880.901 where: short stacking energy: -773.483 Base-Backbone interact. energy: -0.174 local terms energy: -763.997479 where: bonds (distance) C4'-P energy: -127.953 bonds (distance) P-C4' energy: -130.904 flat angles C4'-P-C4' energy: -158.867 flat angles P-C4'-P energy: -112.874 tors. eta vs tors. theta energy: -233.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2607.699714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.699714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.699714 (E_RNA) where: Base-Base interactions energy: -1832.734 where: short stacking energy: -754.401 Base-Backbone interact. energy: -2.105 local terms energy: -772.860667 where: bonds (distance) C4'-P energy: -130.669 bonds (distance) P-C4' energy: -131.467 flat angles C4'-P-C4' energy: -165.845 flat angles P-C4'-P energy: -105.886 tors. eta vs tors. theta energy: -238.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2508.940646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.940646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.940646 (E_RNA) where: Base-Base interactions energy: -1812.458 where: short stacking energy: -732.090 Base-Backbone interact. energy: 3.579 local terms energy: -700.062220 where: bonds (distance) C4'-P energy: -124.709 bonds (distance) P-C4' energy: -122.783 flat angles C4'-P-C4' energy: -138.522 flat angles P-C4'-P energy: -93.615 tors. eta vs tors. theta energy: -220.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2426.920122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.920122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.920122 (E_RNA) where: Base-Base interactions energy: -1718.448 where: short stacking energy: -708.965 Base-Backbone interact. energy: -3.255 local terms energy: -705.216965 where: bonds (distance) C4'-P energy: -123.642 bonds (distance) P-C4' energy: -113.234 flat angles C4'-P-C4' energy: -154.917 flat angles P-C4'-P energy: -101.016 tors. eta vs tors. theta energy: -212.408 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: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2317.642202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.642202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.642202 (E_RNA) where: Base-Base interactions energy: -1672.145 where: short stacking energy: -682.454 Base-Backbone interact. energy: -1.112 local terms energy: -644.385019 where: bonds (distance) C4'-P energy: -109.768 bonds (distance) P-C4' energy: -111.827 flat angles C4'-P-C4' energy: -148.929 flat angles P-C4'-P energy: -78.715 tors. eta vs tors. theta energy: -195.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2303.802426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.802426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.802426 (E_RNA) where: Base-Base interactions energy: -1628.918 where: short stacking energy: -664.000 Base-Backbone interact. energy: -0.713 local terms energy: -674.170598 where: bonds (distance) C4'-P energy: -88.354 bonds (distance) P-C4' energy: -123.296 flat angles C4'-P-C4' energy: -147.950 flat angles P-C4'-P energy: -105.518 tors. eta vs tors. theta energy: -209.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2156.012047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.012047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.012047 (E_RNA) where: Base-Base interactions energy: -1495.901 where: short stacking energy: -604.743 Base-Backbone interact. energy: -0.725 local terms energy: -659.386689 where: bonds (distance) C4'-P energy: -114.124 bonds (distance) P-C4' energy: -138.442 flat angles C4'-P-C4' energy: -131.346 flat angles P-C4'-P energy: -94.400 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: 8, replica: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -2019.982441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.982441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.982441 (E_RNA) where: Base-Base interactions energy: -1451.694 where: short stacking energy: -574.656 Base-Backbone interact. energy: -1.048 local terms energy: -567.241204 where: bonds (distance) C4'-P energy: -93.135 bonds (distance) P-C4' energy: -106.218 flat angles C4'-P-C4' energy: -131.694 flat angles P-C4'-P energy: -84.860 tors. eta vs tors. theta energy: -151.335 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: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1726.277285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.277285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.277285 (E_RNA) where: Base-Base interactions energy: -1217.653 where: short stacking energy: -499.795 Base-Backbone interact. energy: -0.532 local terms energy: -508.092478 where: bonds (distance) C4'-P energy: -102.781 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -113.578 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -124.542 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: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -765.794684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.794684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.794684 (E_RNA) where: Base-Base interactions energy: -414.383 where: short stacking energy: -224.487 Base-Backbone interact. energy: -1.842 local terms energy: -349.570489 where: bonds (distance) C4'-P energy: -114.315 bonds (distance) P-C4' energy: -113.862 flat angles C4'-P-C4' energy: -67.069 flat angles P-C4'-P energy: -38.684 tors. eta vs tors. theta energy: -15.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2653.470514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.470514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.470514 (E_RNA) where: Base-Base interactions energy: -1866.480 where: short stacking energy: -780.247 Base-Backbone interact. energy: 3.714 local terms energy: -790.704345 where: bonds (distance) C4'-P energy: -134.968 bonds (distance) P-C4' energy: -140.754 flat angles C4'-P-C4' energy: -162.309 flat angles P-C4'-P energy: -117.184 tors. eta vs tors. theta energy: -235.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2601.843011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.843011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.843011 (E_RNA) where: Base-Base interactions energy: -1858.531 where: short stacking energy: -763.610 Base-Backbone interact. energy: 0.401 local terms energy: -743.713598 where: bonds (distance) C4'-P energy: -128.659 bonds (distance) P-C4' energy: -131.610 flat angles C4'-P-C4' energy: -157.176 flat angles P-C4'-P energy: -99.485 tors. eta vs tors. theta energy: -226.784 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: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2519.261575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.261575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.261575 (E_RNA) where: Base-Base interactions energy: -1804.779 where: short stacking energy: -720.148 Base-Backbone interact. energy: 0.820 local terms energy: -715.302659 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -125.096 flat angles C4'-P-C4' energy: -151.440 flat angles P-C4'-P energy: -104.548 tors. eta vs tors. theta energy: -212.565 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: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2449.221393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.221393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.221393 (E_RNA) where: Base-Base interactions energy: -1719.807 where: short stacking energy: -692.534 Base-Backbone interact. energy: -0.439 local terms energy: -728.974983 where: bonds (distance) C4'-P energy: -121.760 bonds (distance) P-C4' energy: -138.105 flat angles C4'-P-C4' energy: -155.053 flat angles P-C4'-P energy: -91.520 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: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2307.303493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.303493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.303493 (E_RNA) where: Base-Base interactions energy: -1633.493 where: short stacking energy: -683.291 Base-Backbone interact. energy: 3.349 local terms energy: -677.159597 where: bonds (distance) C4'-P energy: -121.894 bonds (distance) P-C4' energy: -103.202 flat angles C4'-P-C4' energy: -138.057 flat angles P-C4'-P energy: -96.607 tors. eta vs tors. theta energy: -217.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2356.166110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.166110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.166110 (E_RNA) where: Base-Base interactions energy: -1697.361 where: short stacking energy: -693.419 Base-Backbone interact. energy: -2.154 local terms energy: -656.651155 where: bonds (distance) C4'-P energy: -107.199 bonds (distance) P-C4' energy: -103.395 flat angles C4'-P-C4' energy: -138.313 flat angles P-C4'-P energy: -97.014 tors. eta vs tors. theta energy: -210.730 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: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2135.726991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.726991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.726991 (E_RNA) where: Base-Base interactions energy: -1512.707 where: short stacking energy: -611.352 Base-Backbone interact. energy: 0.103 local terms energy: -623.122638 where: bonds (distance) C4'-P energy: -119.128 bonds (distance) P-C4' energy: -112.180 flat angles C4'-P-C4' energy: -119.160 flat angles P-C4'-P energy: -93.272 tors. eta vs tors. theta energy: -179.383 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: 8 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -2069.742926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.742926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.742926 (E_RNA) where: Base-Base interactions energy: -1464.518 where: short stacking energy: -596.919 Base-Backbone interact. energy: 2.985 local terms energy: -608.209409 where: bonds (distance) C4'-P energy: -107.373 bonds (distance) P-C4' energy: -114.203 flat angles C4'-P-C4' energy: -131.157 flat angles P-C4'-P energy: -89.325 tors. eta vs tors. theta energy: -166.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1793.195405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.195405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.195405 (E_RNA) where: Base-Base interactions energy: -1247.239 where: short stacking energy: -495.165 Base-Backbone interact. energy: 0.636 local terms energy: -546.591987 where: bonds (distance) C4'-P energy: -94.451 bonds (distance) P-C4' energy: -119.101 flat angles C4'-P-C4' energy: -111.994 flat angles P-C4'-P energy: -84.010 tors. eta vs tors. theta energy: -137.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -785.322074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.322074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.322074 (E_RNA) where: Base-Base interactions energy: -392.469 where: short stacking energy: -212.471 Base-Backbone interact. energy: -2.157 local terms energy: -390.695517 where: bonds (distance) C4'-P energy: -106.220 bonds (distance) P-C4' energy: -126.789 flat angles C4'-P-C4' energy: -106.094 flat angles P-C4'-P energy: -34.454 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: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2656.245275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.245275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.245275 (E_RNA) where: Base-Base interactions energy: -1877.318 where: short stacking energy: -774.486 Base-Backbone interact. energy: -2.255 local terms energy: -776.672764 where: bonds (distance) C4'-P energy: -124.858 bonds (distance) P-C4' energy: -142.109 flat angles C4'-P-C4' energy: -156.116 flat angles P-C4'-P energy: -119.103 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: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2603.315127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.315127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.315127 (E_RNA) where: Base-Base interactions energy: -1836.126 where: short stacking energy: -763.975 Base-Backbone interact. energy: -1.209 local terms energy: -765.980120 where: bonds (distance) C4'-P energy: -126.213 bonds (distance) P-C4' energy: -143.152 flat angles C4'-P-C4' energy: -163.351 flat angles P-C4'-P energy: -97.440 tors. eta vs tors. theta energy: -235.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2534.796486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.796486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.796486 (E_RNA) where: Base-Base interactions energy: -1816.083 where: short stacking energy: -737.743 Base-Backbone interact. energy: 0.659 local terms energy: -719.373354 where: bonds (distance) C4'-P energy: -127.461 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -150.119 flat angles P-C4'-P energy: -102.294 tors. eta vs tors. theta energy: -218.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2467.559966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.559966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.559966 (E_RNA) where: Base-Base interactions energy: -1773.320 where: short stacking energy: -720.029 Base-Backbone interact. energy: 1.256 local terms energy: -695.496162 where: bonds (distance) C4'-P energy: -118.579 bonds (distance) P-C4' energy: -120.494 flat angles C4'-P-C4' energy: -137.309 flat angles P-C4'-P energy: -102.763 tors. eta vs tors. theta energy: -216.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2334.628817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.628817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.628817 (E_RNA) where: Base-Base interactions energy: -1625.972 where: short stacking energy: -678.291 Base-Backbone interact. energy: -0.718 local terms energy: -707.938152 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -132.008 flat angles C4'-P-C4' energy: -145.648 flat angles P-C4'-P energy: -93.853 tors. eta vs tors. theta energy: -218.277 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: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2308.977286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.977286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.977286 (E_RNA) where: Base-Base interactions energy: -1636.588 where: short stacking energy: -674.160 Base-Backbone interact. energy: -2.670 local terms energy: -669.719638 where: bonds (distance) C4'-P energy: -109.110 bonds (distance) P-C4' energy: -125.778 flat angles C4'-P-C4' energy: -134.649 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: -216.544 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: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2089.384307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.384307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.384307 (E_RNA) where: Base-Base interactions energy: -1472.915 where: short stacking energy: -592.857 Base-Backbone interact. energy: 1.445 local terms energy: -617.915012 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -111.678 flat angles C4'-P-C4' energy: -145.075 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -168.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2070.855169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.855169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.855169 (E_RNA) where: Base-Base interactions energy: -1449.906 where: short stacking energy: -594.394 Base-Backbone interact. energy: 1.417 local terms energy: -622.366733 where: bonds (distance) C4'-P energy: -104.228 bonds (distance) P-C4' energy: -117.483 flat angles C4'-P-C4' energy: -125.970 flat angles P-C4'-P energy: -95.045 tors. eta vs tors. theta energy: -179.641 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: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1828.499486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.499486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.499486 (E_RNA) where: Base-Base interactions energy: -1278.722 where: short stacking energy: -525.441 Base-Backbone interact. energy: -3.255 local terms energy: -546.521869 where: bonds (distance) C4'-P energy: -113.915 bonds (distance) P-C4' energy: -94.924 flat angles C4'-P-C4' energy: -133.524 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -131.302 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: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -846.964781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.964781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.964781 (E_RNA) where: Base-Base interactions energy: -457.520 where: short stacking energy: -261.616 Base-Backbone interact. energy: 2.956 local terms energy: -392.400634 where: bonds (distance) C4'-P energy: -104.377 bonds (distance) P-C4' energy: -109.250 flat angles C4'-P-C4' energy: -90.750 flat angles P-C4'-P energy: -60.853 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: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2656.979543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.979543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.979543 (E_RNA) where: Base-Base interactions energy: -1894.441 where: short stacking energy: -774.019 Base-Backbone interact. energy: -0.887 local terms energy: -761.651409 where: bonds (distance) C4'-P energy: -127.361 bonds (distance) P-C4' energy: -140.768 flat angles C4'-P-C4' energy: -152.546 flat angles P-C4'-P energy: -116.378 tors. eta vs tors. theta energy: -224.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2612.769976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.769976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.769976 (E_RNA) where: Base-Base interactions energy: -1837.027 where: short stacking energy: -763.554 Base-Backbone interact. energy: -1.320 local terms energy: -774.422921 where: bonds (distance) C4'-P energy: -139.488 bonds (distance) P-C4' energy: -131.657 flat angles C4'-P-C4' energy: -160.753 flat angles P-C4'-P energy: -108.049 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: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2521.690101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.690101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.690101 (E_RNA) where: Base-Base interactions energy: -1800.731 where: short stacking energy: -699.499 Base-Backbone interact. energy: 3.572 local terms energy: -724.531306 where: bonds (distance) C4'-P energy: -132.173 bonds (distance) P-C4' energy: -134.386 flat angles C4'-P-C4' energy: -143.895 flat angles P-C4'-P energy: -92.972 tors. eta vs tors. theta energy: -221.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2461.081293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.081293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.081293 (E_RNA) where: Base-Base interactions energy: -1739.536 where: short stacking energy: -689.161 Base-Backbone interact. energy: -1.566 local terms energy: -719.978667 where: bonds (distance) C4'-P energy: -113.164 bonds (distance) P-C4' energy: -130.410 flat angles C4'-P-C4' energy: -153.351 flat angles P-C4'-P energy: -104.252 tors. eta vs tors. theta energy: -218.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2338.930873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.930873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.930873 (E_RNA) where: Base-Base interactions energy: -1664.184 where: short stacking energy: -656.497 Base-Backbone interact. energy: -1.276 local terms energy: -673.471265 where: bonds (distance) C4'-P energy: -122.431 bonds (distance) P-C4' energy: -105.887 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -100.516 tors. eta vs tors. theta energy: -206.253 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: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2288.273216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.273216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.273216 (E_RNA) where: Base-Base interactions energy: -1646.055 where: short stacking energy: -686.478 Base-Backbone interact. energy: 0.384 local terms energy: -642.602156 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -99.423 flat angles C4'-P-C4' energy: -137.121 flat angles P-C4'-P energy: -85.423 tors. eta vs tors. theta energy: -203.984 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: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2117.551513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.551513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.551513 (E_RNA) where: Base-Base interactions energy: -1501.978 where: short stacking energy: -593.138 Base-Backbone interact. energy: 0.015 local terms energy: -615.588967 where: bonds (distance) C4'-P energy: -101.616 bonds (distance) P-C4' energy: -123.459 flat angles C4'-P-C4' energy: -126.114 flat angles P-C4'-P energy: -89.030 tors. eta vs tors. theta energy: -175.371 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: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2099.310507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.310507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.310507 (E_RNA) where: Base-Base interactions energy: -1465.717 where: short stacking energy: -599.339 Base-Backbone interact. energy: -1.948 local terms energy: -631.646216 where: bonds (distance) C4'-P energy: -117.870 bonds (distance) P-C4' energy: -111.645 flat angles C4'-P-C4' energy: -123.773 flat angles P-C4'-P energy: -92.533 tors. eta vs tors. theta energy: -185.825 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: 257 Temperature: 1.300000 Total energy: -1859.679498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.679498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.679498 (E_RNA) where: Base-Base interactions energy: -1302.877 where: short stacking energy: -528.562 Base-Backbone interact. energy: -1.263 local terms energy: -555.540005 where: bonds (distance) C4'-P energy: -106.257 bonds (distance) P-C4' energy: -105.670 flat angles C4'-P-C4' energy: -120.996 flat angles P-C4'-P energy: -81.184 tors. eta vs tors. theta energy: -141.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -816.424805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.424805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.424805 (E_RNA) where: Base-Base interactions energy: -429.571 where: short stacking energy: -218.749 Base-Backbone interact. energy: 0.026 local terms energy: -386.879975 where: bonds (distance) C4'-P energy: -107.887 bonds (distance) P-C4' energy: -112.236 flat angles C4'-P-C4' energy: -98.531 flat angles P-C4'-P energy: -62.231 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2633.764960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.764960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.764960 (E_RNA) where: Base-Base interactions energy: -1884.746 where: short stacking energy: -801.351 Base-Backbone interact. energy: -1.490 local terms energy: -747.528622 where: bonds (distance) C4'-P energy: -125.229 bonds (distance) P-C4' energy: -122.033 flat angles C4'-P-C4' energy: -157.698 flat angles P-C4'-P energy: -106.521 tors. eta vs tors. theta energy: -236.047 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: 258 Temperature: 0.950000 Total energy: -2643.266437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.266437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.266437 (E_RNA) where: Base-Base interactions energy: -1898.529 where: short stacking energy: -769.456 Base-Backbone interact. energy: -1.355 local terms energy: -743.381904 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -121.083 flat angles C4'-P-C4' energy: -161.613 flat angles P-C4'-P energy: -101.462 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: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2567.590670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.590670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.590670 (E_RNA) where: Base-Base interactions energy: -1846.769 where: short stacking energy: -734.586 Base-Backbone interact. energy: -0.994 local terms energy: -719.826985 where: bonds (distance) C4'-P energy: -124.372 bonds (distance) P-C4' energy: -136.767 flat angles C4'-P-C4' energy: -141.355 flat angles P-C4'-P energy: -97.093 tors. eta vs tors. theta energy: -220.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2469.966426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.966426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.966426 (E_RNA) where: Base-Base interactions energy: -1767.899 where: short stacking energy: -744.727 Base-Backbone interact. energy: 2.843 local terms energy: -704.910302 where: bonds (distance) C4'-P energy: -122.521 bonds (distance) P-C4' energy: -131.023 flat angles C4'-P-C4' energy: -135.768 flat angles P-C4'-P energy: -98.011 tors. eta vs tors. theta energy: -217.587 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: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2357.135353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.135353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.135353 (E_RNA) where: Base-Base interactions energy: -1642.716 where: short stacking energy: -687.574 Base-Backbone interact. energy: 0.355 local terms energy: -714.774135 where: bonds (distance) C4'-P energy: -125.222 bonds (distance) P-C4' energy: -126.402 flat angles C4'-P-C4' energy: -147.318 flat angles P-C4'-P energy: -102.733 tors. eta vs tors. theta energy: -213.099 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: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2325.586933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.586933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.586933 (E_RNA) where: Base-Base interactions energy: -1622.055 where: short stacking energy: -663.420 Base-Backbone interact. energy: 0.246 local terms energy: -703.777435 where: bonds (distance) C4'-P energy: -125.467 bonds (distance) P-C4' energy: -125.666 flat angles C4'-P-C4' energy: -137.949 flat angles P-C4'-P energy: -97.239 tors. eta vs tors. theta energy: -217.457 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: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2120.798148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.798148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.798148 (E_RNA) where: Base-Base interactions energy: -1502.855 where: short stacking energy: -607.749 Base-Backbone interact. energy: -2.119 local terms energy: -615.824262 where: bonds (distance) C4'-P energy: -105.742 bonds (distance) P-C4' energy: -120.641 flat angles C4'-P-C4' energy: -127.217 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -179.975 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: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -2034.497896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.497896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.497896 (E_RNA) where: Base-Base interactions energy: -1414.885 where: short stacking energy: -583.517 Base-Backbone interact. energy: 3.615 local terms energy: -623.228108 where: bonds (distance) C4'-P energy: -107.058 bonds (distance) P-C4' energy: -107.117 flat angles C4'-P-C4' energy: -134.849 flat angles P-C4'-P energy: -99.951 tors. eta vs tors. theta energy: -174.253 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: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1918.137471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.137471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.137471 (E_RNA) where: Base-Base interactions energy: -1340.540 where: short stacking energy: -541.070 Base-Backbone interact. energy: 4.845 local terms energy: -582.443028 where: bonds (distance) C4'-P energy: -114.306 bonds (distance) P-C4' energy: -114.812 flat angles C4'-P-C4' energy: -131.336 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: -150.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -896.743859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.743859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.743859 (E_RNA) where: Base-Base interactions energy: -484.542 where: short stacking energy: -241.345 Base-Backbone interact. energy: 1.783 local terms energy: -413.984945 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -134.896 flat angles C4'-P-C4' energy: -97.966 flat angles P-C4'-P energy: -52.517 tors. eta vs tors. theta energy: -9.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2626.743669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.743669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.743669 (E_RNA) where: Base-Base interactions energy: -1843.502 where: short stacking energy: -775.503 Base-Backbone interact. energy: -2.979 local terms energy: -780.262379 where: bonds (distance) C4'-P energy: -133.341 bonds (distance) P-C4' energy: -152.433 flat angles C4'-P-C4' energy: -146.822 flat angles P-C4'-P energy: -111.150 tors. eta vs tors. theta energy: -236.516 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: 259 Temperature: 0.950000 Total energy: -2589.536925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.536925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.536925 (E_RNA) where: Base-Base interactions energy: -1832.603 where: short stacking energy: -740.902 Base-Backbone interact. energy: -1.589 local terms energy: -755.344706 where: bonds (distance) C4'-P energy: -127.254 bonds (distance) P-C4' energy: -135.149 flat angles C4'-P-C4' energy: -158.624 flat angles P-C4'-P energy: -102.387 tors. eta vs tors. theta energy: -231.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2562.068080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.068080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.068080 (E_RNA) where: Base-Base interactions energy: -1822.244 where: short stacking energy: -734.625 Base-Backbone interact. energy: -2.257 local terms energy: -737.567564 where: bonds (distance) C4'-P energy: -122.160 bonds (distance) P-C4' energy: -141.681 flat angles C4'-P-C4' energy: -147.764 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -225.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2445.146034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.146034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.146034 (E_RNA) where: Base-Base interactions energy: -1721.280 where: short stacking energy: -704.199 Base-Backbone interact. energy: -0.722 local terms energy: -723.143307 where: bonds (distance) C4'-P energy: -116.954 bonds (distance) P-C4' energy: -125.871 flat angles C4'-P-C4' energy: -158.708 flat angles P-C4'-P energy: -95.681 tors. eta vs tors. theta energy: -225.929 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: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2387.072240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.072240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.072240 (E_RNA) where: Base-Base interactions energy: -1676.818 where: short stacking energy: -693.803 Base-Backbone interact. energy: -2.062 local terms energy: -708.192484 where: bonds (distance) C4'-P energy: -137.698 bonds (distance) P-C4' energy: -119.092 flat angles C4'-P-C4' energy: -142.589 flat angles P-C4'-P energy: -98.989 tors. eta vs tors. theta energy: -209.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2355.887297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.887297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.887297 (E_RNA) where: Base-Base interactions energy: -1710.394 where: short stacking energy: -696.118 Base-Backbone interact. energy: 2.202 local terms energy: -647.694696 where: bonds (distance) C4'-P energy: -96.432 bonds (distance) P-C4' energy: -112.369 flat angles C4'-P-C4' energy: -140.639 flat angles P-C4'-P energy: -87.638 tors. eta vs tors. theta energy: -210.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2148.839000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.839000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.839000 (E_RNA) where: Base-Base interactions energy: -1538.332 where: short stacking energy: -626.547 Base-Backbone interact. energy: -0.425 local terms energy: -610.081472 where: bonds (distance) C4'-P energy: -110.289 bonds (distance) P-C4' energy: -107.475 flat angles C4'-P-C4' energy: -128.408 flat angles P-C4'-P energy: -82.568 tors. eta vs tors. theta energy: -181.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -2040.348592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.348592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.348592 (E_RNA) where: Base-Base interactions energy: -1431.792 where: short stacking energy: -613.182 Base-Backbone interact. energy: 2.856 local terms energy: -611.412429 where: bonds (distance) C4'-P energy: -101.452 bonds (distance) P-C4' energy: -109.931 flat angles C4'-P-C4' energy: -142.297 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -178.651 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: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1864.495881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.495881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.495881 (E_RNA) where: Base-Base interactions energy: -1326.431 where: short stacking energy: -531.053 Base-Backbone interact. energy: 0.958 local terms energy: -539.022849 where: bonds (distance) C4'-P energy: -104.879 bonds (distance) P-C4' energy: -88.644 flat angles C4'-P-C4' energy: -118.376 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -135.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -818.886445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.886445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.886445 (E_RNA) where: Base-Base interactions energy: -442.121 where: short stacking energy: -233.083 Base-Backbone interact. energy: -1.457 local terms energy: -375.308923 where: bonds (distance) C4'-P energy: -98.711 bonds (distance) P-C4' energy: -116.366 flat angles C4'-P-C4' energy: -103.151 flat angles P-C4'-P energy: -48.379 tors. eta vs tors. theta energy: -8.700 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: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2643.108394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.108394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.108394 (E_RNA) where: Base-Base interactions energy: -1871.460 where: short stacking energy: -736.286 Base-Backbone interact. energy: -2.469 local terms energy: -769.179795 where: bonds (distance) C4'-P energy: -134.581 bonds (distance) P-C4' energy: -137.226 flat angles C4'-P-C4' energy: -160.958 flat angles P-C4'-P energy: -108.510 tors. eta vs tors. theta energy: -227.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2598.736131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.736131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.736131 (E_RNA) where: Base-Base interactions energy: -1851.652 where: short stacking energy: -761.539 Base-Backbone interact. energy: -3.562 local terms energy: -743.522144 where: bonds (distance) C4'-P energy: -126.936 bonds (distance) P-C4' energy: -129.861 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -232.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2547.839828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.839828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.839828 (E_RNA) where: Base-Base interactions energy: -1841.444 where: short stacking energy: -739.706 Base-Backbone interact. energy: -1.965 local terms energy: -704.430596 where: bonds (distance) C4'-P energy: -122.329 bonds (distance) P-C4' energy: -117.134 flat angles C4'-P-C4' energy: -146.330 flat angles P-C4'-P energy: -97.719 tors. eta vs tors. theta energy: -220.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2464.250417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.250417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.250417 (E_RNA) where: Base-Base interactions energy: -1753.803 where: short stacking energy: -731.400 Base-Backbone interact. energy: 0.838 local terms energy: -711.285849 where: bonds (distance) C4'-P energy: -114.752 bonds (distance) P-C4' energy: -123.376 flat angles C4'-P-C4' energy: -153.690 flat angles P-C4'-P energy: -98.304 tors. eta vs tors. theta energy: -221.164 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: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2385.494616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.494616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.494616 (E_RNA) where: Base-Base interactions energy: -1703.416 where: short stacking energy: -695.882 Base-Backbone interact. energy: 3.258 local terms energy: -685.336811 where: bonds (distance) C4'-P energy: -120.745 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -149.264 flat angles P-C4'-P energy: -84.587 tors. eta vs tors. theta energy: -211.176 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: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2331.629045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.629045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.629045 (E_RNA) where: Base-Base interactions energy: -1674.552 where: short stacking energy: -673.478 Base-Backbone interact. energy: -1.603 local terms energy: -655.473123 where: bonds (distance) C4'-P energy: -129.052 bonds (distance) P-C4' energy: -98.903 flat angles C4'-P-C4' energy: -137.509 flat angles P-C4'-P energy: -82.271 tors. eta vs tors. theta energy: -207.738 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: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2186.621301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.621301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.621301 (E_RNA) where: Base-Base interactions energy: -1553.079 where: short stacking energy: -613.055 Base-Backbone interact. energy: -2.258 local terms energy: -631.284372 where: bonds (distance) C4'-P energy: -119.519 bonds (distance) P-C4' energy: -106.606 flat angles C4'-P-C4' energy: -139.959 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -182.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -2049.518886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.518886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.518886 (E_RNA) where: Base-Base interactions energy: -1468.306 where: short stacking energy: -597.232 Base-Backbone interact. energy: -0.564 local terms energy: -580.649230 where: bonds (distance) C4'-P energy: -84.114 bonds (distance) P-C4' energy: -100.734 flat angles C4'-P-C4' energy: -124.818 flat angles P-C4'-P energy: -92.758 tors. eta vs tors. theta energy: -178.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1916.053526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.053526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.053526 (E_RNA) where: Base-Base interactions energy: -1354.227 where: short stacking energy: -541.636 Base-Backbone interact. energy: 1.905 local terms energy: -563.731530 where: bonds (distance) C4'-P energy: -97.873 bonds (distance) P-C4' energy: -112.027 flat angles C4'-P-C4' energy: -117.310 flat angles P-C4'-P energy: -97.372 tors. eta vs tors. theta energy: -139.149 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: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -824.909651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.909651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.909651 (E_RNA) where: Base-Base interactions energy: -431.169 where: short stacking energy: -215.599 Base-Backbone interact. energy: -4.103 local terms energy: -389.637321 where: bonds (distance) C4'-P energy: -110.495 bonds (distance) P-C4' energy: -110.522 flat angles C4'-P-C4' energy: -115.474 flat angles P-C4'-P energy: -58.519 tors. eta vs tors. theta energy: 5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2635.992000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.992000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.992000 (E_RNA) where: Base-Base interactions energy: -1866.447 where: short stacking energy: -766.270 Base-Backbone interact. energy: -1.599 local terms energy: -767.946256 where: bonds (distance) C4'-P energy: -132.539 bonds (distance) P-C4' energy: -129.808 flat angles C4'-P-C4' energy: -164.946 flat angles P-C4'-P energy: -108.306 tors. eta vs tors. theta energy: -232.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2598.091275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.091275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.091275 (E_RNA) where: Base-Base interactions energy: -1842.394 where: short stacking energy: -764.565 Base-Backbone interact. energy: -2.407 local terms energy: -753.290342 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -139.033 flat angles C4'-P-C4' energy: -148.579 flat angles P-C4'-P energy: -96.475 tors. eta vs tors. theta energy: -241.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2575.811906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.811906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.811906 (E_RNA) where: Base-Base interactions energy: -1852.424 where: short stacking energy: -731.455 Base-Backbone interact. energy: -4.464 local terms energy: -718.924311 where: bonds (distance) C4'-P energy: -104.072 bonds (distance) P-C4' energy: -131.957 flat angles C4'-P-C4' energy: -151.594 flat angles P-C4'-P energy: -103.776 tors. eta vs tors. theta energy: -227.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2497.042002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.042002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.042002 (E_RNA) where: Base-Base interactions energy: -1770.492 where: short stacking energy: -727.005 Base-Backbone interact. energy: -1.853 local terms energy: -724.696720 where: bonds (distance) C4'-P energy: -114.829 bonds (distance) P-C4' energy: -128.913 flat angles C4'-P-C4' energy: -163.033 flat angles P-C4'-P energy: -89.582 tors. eta vs tors. theta energy: -228.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2428.567136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.567136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.567136 (E_RNA) where: Base-Base interactions energy: -1716.112 where: short stacking energy: -690.047 Base-Backbone interact. energy: -2.262 local terms energy: -710.193014 where: bonds (distance) C4'-P energy: -114.045 bonds (distance) P-C4' energy: -127.123 flat angles C4'-P-C4' energy: -148.342 flat angles P-C4'-P energy: -109.514 tors. eta vs tors. theta energy: -211.170 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: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2267.571478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.571478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.571478 (E_RNA) where: Base-Base interactions energy: -1593.198 where: short stacking energy: -665.302 Base-Backbone interact. energy: -0.881 local terms energy: -673.492500 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -120.781 flat angles C4'-P-C4' energy: -145.971 flat angles P-C4'-P energy: -92.963 tors. eta vs tors. theta energy: -207.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2198.090970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.090970 (E_RNA) where: Base-Base interactions energy: -1560.832 where: short stacking energy: -631.524 Base-Backbone interact. energy: -0.647 local terms energy: -636.611865 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -123.519 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -86.471 tors. eta vs tors. theta energy: -177.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -2053.234751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.234751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.234751 (E_RNA) where: Base-Base interactions energy: -1431.388 where: short stacking energy: -594.226 Base-Backbone interact. energy: -1.787 local terms energy: -620.060041 where: bonds (distance) C4'-P energy: -114.471 bonds (distance) P-C4' energy: -98.240 flat angles C4'-P-C4' energy: -131.706 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -185.254 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: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1831.327203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.327203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.327203 (E_RNA) where: Base-Base interactions energy: -1291.473 where: short stacking energy: -527.032 Base-Backbone interact. energy: 3.461 local terms energy: -543.314811 where: bonds (distance) C4'-P energy: -105.044 bonds (distance) P-C4' energy: -112.013 flat angles C4'-P-C4' energy: -119.142 flat angles P-C4'-P energy: -72.395 tors. eta vs tors. theta energy: -134.721 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: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -859.055392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.055392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.055392 (E_RNA) where: Base-Base interactions energy: -479.691 where: short stacking energy: -246.165 Base-Backbone interact. energy: 1.204 local terms energy: -380.567995 where: bonds (distance) C4'-P energy: -107.236 bonds (distance) P-C4' energy: -117.322 flat angles C4'-P-C4' energy: -80.731 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: -16.060 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: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2643.476170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.476170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.476170 (E_RNA) where: Base-Base interactions energy: -1888.531 where: short stacking energy: -766.713 Base-Backbone interact. energy: -2.270 local terms energy: -752.674833 where: bonds (distance) C4'-P energy: -146.693 bonds (distance) P-C4' energy: -125.526 flat angles C4'-P-C4' energy: -152.870 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -227.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2585.551433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.551433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.551433 (E_RNA) where: Base-Base interactions energy: -1843.595 where: short stacking energy: -747.412 Base-Backbone interact. energy: -3.294 local terms energy: -738.662831 where: bonds (distance) C4'-P energy: -128.866 bonds (distance) P-C4' energy: -131.874 flat angles C4'-P-C4' energy: -150.690 flat angles P-C4'-P energy: -94.586 tors. eta vs tors. theta energy: -232.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2563.866346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.866346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.866346 (E_RNA) where: Base-Base interactions energy: -1836.259 where: short stacking energy: -748.348 Base-Backbone interact. energy: 2.051 local terms energy: -729.658481 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -130.666 flat angles C4'-P-C4' energy: -144.426 flat angles P-C4'-P energy: -111.899 tors. eta vs tors. theta energy: -230.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2470.231517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.231517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.231517 (E_RNA) where: Base-Base interactions energy: -1737.321 where: short stacking energy: -742.628 Base-Backbone interact. energy: -2.080 local terms energy: -730.830668 where: bonds (distance) C4'-P energy: -128.156 bonds (distance) P-C4' energy: -116.450 flat angles C4'-P-C4' energy: -153.463 flat angles P-C4'-P energy: -97.317 tors. eta vs tors. theta energy: -235.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2424.856555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.856555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.856555 (E_RNA) where: Base-Base interactions energy: -1714.698 where: short stacking energy: -693.969 Base-Backbone interact. energy: -2.097 local terms energy: -708.061429 where: bonds (distance) C4'-P energy: -114.547 bonds (distance) P-C4' energy: -119.772 flat angles C4'-P-C4' energy: -152.452 flat angles P-C4'-P energy: -108.756 tors. eta vs tors. theta energy: -212.534 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: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2290.455776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.455776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.455776 (E_RNA) where: Base-Base interactions energy: -1628.498 where: short stacking energy: -660.856 Base-Backbone interact. energy: -1.126 local terms energy: -660.832196 where: bonds (distance) C4'-P energy: -101.888 bonds (distance) P-C4' energy: -113.392 flat angles C4'-P-C4' energy: -147.602 flat angles P-C4'-P energy: -90.058 tors. eta vs tors. theta energy: -207.892 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: 262 Temperature: 1.200000 Total energy: -2164.333825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.333825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.333825 (E_RNA) where: Base-Base interactions energy: -1553.335 where: short stacking energy: -620.788 Base-Backbone interact. energy: 0.444 local terms energy: -611.442745 where: bonds (distance) C4'-P energy: -98.887 bonds (distance) P-C4' energy: -115.659 flat angles C4'-P-C4' energy: -134.161 flat angles P-C4'-P energy: -89.438 tors. eta vs tors. theta energy: -173.297 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: 262 Temperature: 1.250000 Total energy: -2049.935043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.935043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.935043 (E_RNA) where: Base-Base interactions energy: -1455.318 where: short stacking energy: -608.457 Base-Backbone interact. energy: 0.196 local terms energy: -594.812856 where: bonds (distance) C4'-P energy: -116.508 bonds (distance) P-C4' energy: -94.558 flat angles C4'-P-C4' energy: -136.727 flat angles P-C4'-P energy: -76.869 tors. eta vs tors. theta energy: -170.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1871.424652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.424652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.424652 (E_RNA) where: Base-Base interactions energy: -1318.329 where: short stacking energy: -513.148 Base-Backbone interact. energy: 1.077 local terms energy: -554.172108 where: bonds (distance) C4'-P energy: -119.006 bonds (distance) P-C4' energy: -104.990 flat angles C4'-P-C4' energy: -121.893 flat angles P-C4'-P energy: -71.196 tors. eta vs tors. theta energy: -137.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -777.546999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.546999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.546999 (E_RNA) where: Base-Base interactions energy: -441.461 where: short stacking energy: -240.841 Base-Backbone interact. energy: -1.694 local terms energy: -334.392667 where: bonds (distance) C4'-P energy: -94.998 bonds (distance) P-C4' energy: -122.263 flat angles C4'-P-C4' energy: -69.191 flat angles P-C4'-P energy: -41.719 tors. eta vs tors. theta energy: -6.222 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: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2641.383417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.383417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.383417 (E_RNA) where: Base-Base interactions energy: -1903.263 where: short stacking energy: -791.739 Base-Backbone interact. energy: -1.459 local terms energy: -736.661609 where: bonds (distance) C4'-P energy: -124.821 bonds (distance) P-C4' energy: -124.259 flat angles C4'-P-C4' energy: -161.024 flat angles P-C4'-P energy: -100.887 tors. eta vs tors. theta energy: -225.671 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: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2582.825913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.825913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.825913 (E_RNA) where: Base-Base interactions energy: -1825.478 where: short stacking energy: -785.440 Base-Backbone interact. energy: 0.025 local terms energy: -757.372923 where: bonds (distance) C4'-P energy: -127.257 bonds (distance) P-C4' energy: -134.475 flat angles C4'-P-C4' energy: -163.713 flat angles P-C4'-P energy: -101.367 tors. eta vs tors. theta energy: -230.561 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: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2548.382179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.382179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.382179 (E_RNA) where: Base-Base interactions energy: -1798.851 where: short stacking energy: -711.335 Base-Backbone interact. energy: -1.338 local terms energy: -748.192861 where: bonds (distance) C4'-P energy: -133.940 bonds (distance) P-C4' energy: -139.777 flat angles C4'-P-C4' energy: -150.938 flat angles P-C4'-P energy: -96.988 tors. eta vs tors. theta energy: -226.550 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: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2491.133891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.133891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.133891 (E_RNA) where: Base-Base interactions energy: -1759.227 where: short stacking energy: -729.320 Base-Backbone interact. energy: -2.278 local terms energy: -729.629030 where: bonds (distance) C4'-P energy: -116.293 bonds (distance) P-C4' energy: -139.736 flat angles C4'-P-C4' energy: -150.223 flat angles P-C4'-P energy: -99.373 tors. eta vs tors. theta energy: -224.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2387.627828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.627828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.627828 (E_RNA) where: Base-Base interactions energy: -1667.830 where: short stacking energy: -660.573 Base-Backbone interact. energy: -0.818 local terms energy: -718.979372 where: bonds (distance) C4'-P energy: -136.230 bonds (distance) P-C4' energy: -136.050 flat angles C4'-P-C4' energy: -140.968 flat angles P-C4'-P energy: -102.234 tors. eta vs tors. theta energy: -203.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2256.939984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.939984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.939984 (E_RNA) where: Base-Base interactions energy: -1574.891 where: short stacking energy: -651.002 Base-Backbone interact. energy: 0.730 local terms energy: -682.779468 where: bonds (distance) C4'-P energy: -128.102 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -144.167 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -200.640 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: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2151.754335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.754335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.754335 (E_RNA) where: Base-Base interactions energy: -1530.507 where: short stacking energy: -610.044 Base-Backbone interact. energy: 11.215 local terms energy: -632.462401 where: bonds (distance) C4'-P energy: -102.058 bonds (distance) P-C4' energy: -104.135 flat angles C4'-P-C4' energy: -142.000 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -185.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -2051.489627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.489627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.489627 (E_RNA) where: Base-Base interactions energy: -1470.538 where: short stacking energy: -613.594 Base-Backbone interact. energy: -1.915 local terms energy: -579.036155 where: bonds (distance) C4'-P energy: -99.068 bonds (distance) P-C4' energy: -112.494 flat angles C4'-P-C4' energy: -125.816 flat angles P-C4'-P energy: -82.368 tors. eta vs tors. theta energy: -159.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1956.121188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.121188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.121188 (E_RNA) where: Base-Base interactions energy: -1376.206 where: short stacking energy: -544.403 Base-Backbone interact. energy: 0.099 local terms energy: -580.014247 where: bonds (distance) C4'-P energy: -101.514 bonds (distance) P-C4' energy: -111.604 flat angles C4'-P-C4' energy: -126.268 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -158.836 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: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -847.007474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.007474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.007474 (E_RNA) where: Base-Base interactions energy: -467.824 where: short stacking energy: -263.335 Base-Backbone interact. energy: 0.048 local terms energy: -379.231656 where: bonds (distance) C4'-P energy: -105.180 bonds (distance) P-C4' energy: -98.351 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -48.335 tors. eta vs tors. theta energy: -34.059 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: 264 Temperature: 0.900000 Total energy: -2647.262104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.262104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.262104 (E_RNA) where: Base-Base interactions energy: -1854.704 where: short stacking energy: -768.470 Base-Backbone interact. energy: -2.308 local terms energy: -790.249881 where: bonds (distance) C4'-P energy: -133.031 bonds (distance) P-C4' energy: -150.229 flat angles C4'-P-C4' energy: -162.802 flat angles P-C4'-P energy: -115.852 tors. eta vs tors. theta energy: -228.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2561.493806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.493806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.493806 (E_RNA) where: Base-Base interactions energy: -1845.747 where: short stacking energy: -731.537 Base-Backbone interact. energy: -2.756 local terms energy: -712.990797 where: bonds (distance) C4'-P energy: -123.862 bonds (distance) P-C4' energy: -120.490 flat angles C4'-P-C4' energy: -146.373 flat angles P-C4'-P energy: -104.060 tors. eta vs tors. theta energy: -218.206 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: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2533.730688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.730688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.730688 (E_RNA) where: Base-Base interactions energy: -1820.260 where: short stacking energy: -709.552 Base-Backbone interact. energy: 3.783 local terms energy: -717.254483 where: bonds (distance) C4'-P energy: -136.150 bonds (distance) P-C4' energy: -125.044 flat angles C4'-P-C4' energy: -147.824 flat angles P-C4'-P energy: -89.821 tors. eta vs tors. theta energy: -218.415 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: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2445.788305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.788305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.788305 (E_RNA) where: Base-Base interactions energy: -1730.609 where: short stacking energy: -705.139 Base-Backbone interact. energy: 0.749 local terms energy: -715.927857 where: bonds (distance) C4'-P energy: -130.551 bonds (distance) P-C4' energy: -121.442 flat angles C4'-P-C4' energy: -147.815 flat angles P-C4'-P energy: -107.185 tors. eta vs tors. theta energy: -208.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2424.094575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.094575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.094575 (E_RNA) where: Base-Base interactions energy: -1744.899 where: short stacking energy: -717.653 Base-Backbone interact. energy: -1.284 local terms energy: -677.911819 where: bonds (distance) C4'-P energy: -98.052 bonds (distance) P-C4' energy: -114.871 flat angles C4'-P-C4' energy: -147.982 flat angles P-C4'-P energy: -84.843 tors. eta vs tors. theta energy: -232.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2272.753413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.753413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.753413 (E_RNA) where: Base-Base interactions energy: -1611.848 where: short stacking energy: -655.983 Base-Backbone interact. energy: -1.633 local terms energy: -659.272462 where: bonds (distance) C4'-P energy: -111.974 bonds (distance) P-C4' energy: -106.728 flat angles C4'-P-C4' energy: -143.954 flat angles P-C4'-P energy: -98.895 tors. eta vs tors. theta energy: -197.721 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: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2114.466060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.466060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.466060 (E_RNA) where: Base-Base interactions energy: -1519.540 where: short stacking energy: -594.182 Base-Backbone interact. energy: -2.411 local terms energy: -592.515179 where: bonds (distance) C4'-P energy: -106.575 bonds (distance) P-C4' energy: -108.171 flat angles C4'-P-C4' energy: -128.012 flat angles P-C4'-P energy: -90.475 tors. eta vs tors. theta energy: -159.282 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: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -2117.874487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.874487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.874487 (E_RNA) where: Base-Base interactions energy: -1492.395 where: short stacking energy: -629.642 Base-Backbone interact. energy: 0.913 local terms energy: -626.392923 where: bonds (distance) C4'-P energy: -98.816 bonds (distance) P-C4' energy: -101.155 flat angles C4'-P-C4' energy: -127.752 flat angles P-C4'-P energy: -94.471 tors. eta vs tors. theta energy: -204.199 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: 264 Temperature: 1.300000 Total energy: -2012.337406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.337406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.337406 (E_RNA) where: Base-Base interactions energy: -1443.477 where: short stacking energy: -590.043 Base-Backbone interact. energy: 0.005 local terms energy: -568.865651 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -114.109 flat angles C4'-P-C4' energy: -125.980 flat angles P-C4'-P energy: -71.829 tors. eta vs tors. theta energy: -173.394 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: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -816.064775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.064775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.064775 (E_RNA) where: Base-Base interactions energy: -455.485 where: short stacking energy: -248.626 Base-Backbone interact. energy: -2.085 local terms energy: -358.494518 where: bonds (distance) C4'-P energy: -101.804 bonds (distance) P-C4' energy: -103.020 flat angles C4'-P-C4' energy: -93.558 flat angles P-C4'-P energy: -33.368 tors. eta vs tors. theta energy: -26.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2664.881913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.881913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.881913 (E_RNA) where: Base-Base interactions energy: -1902.552 where: short stacking energy: -785.993 Base-Backbone interact. energy: 0.519 local terms energy: -762.848490 where: bonds (distance) C4'-P energy: -129.280 bonds (distance) P-C4' energy: -129.960 flat angles C4'-P-C4' energy: -159.950 flat angles P-C4'-P energy: -104.763 tors. eta vs tors. theta energy: -238.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2600.021569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.021569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.021569 (E_RNA) where: Base-Base interactions energy: -1850.219 where: short stacking energy: -721.781 Base-Backbone interact. energy: -4.346 local terms energy: -745.455897 where: bonds (distance) C4'-P energy: -124.402 bonds (distance) P-C4' energy: -136.526 flat angles C4'-P-C4' energy: -162.775 flat angles P-C4'-P energy: -95.513 tors. eta vs tors. theta energy: -226.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2520.966438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.966438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.966438 (E_RNA) where: Base-Base interactions energy: -1786.268 where: short stacking energy: -733.976 Base-Backbone interact. energy: -2.130 local terms energy: -732.568671 where: bonds (distance) C4'-P energy: -131.744 bonds (distance) P-C4' energy: -124.511 flat angles C4'-P-C4' energy: -153.261 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -222.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2442.979640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.979640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.979640 (E_RNA) where: Base-Base interactions energy: -1726.776 where: short stacking energy: -710.217 Base-Backbone interact. energy: -0.489 local terms energy: -715.713749 where: bonds (distance) C4'-P energy: -112.237 bonds (distance) P-C4' energy: -123.306 flat angles C4'-P-C4' energy: -160.257 flat angles P-C4'-P energy: -103.008 tors. eta vs tors. theta energy: -216.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2398.063196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.063196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.063196 (E_RNA) where: Base-Base interactions energy: -1685.063 where: short stacking energy: -677.306 Base-Backbone interact. energy: -0.725 local terms energy: -712.276122 where: bonds (distance) C4'-P energy: -120.104 bonds (distance) P-C4' energy: -131.397 flat angles C4'-P-C4' energy: -142.401 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -213.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2263.525092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.525092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.525092 (E_RNA) where: Base-Base interactions energy: -1591.746 where: short stacking energy: -648.628 Base-Backbone interact. energy: -1.044 local terms energy: -670.734999 where: bonds (distance) C4'-P energy: -117.561 bonds (distance) P-C4' energy: -135.246 flat angles C4'-P-C4' energy: -142.601 flat angles P-C4'-P energy: -84.429 tors. eta vs tors. theta energy: -190.898 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: 265 Temperature: 1.200000 Total energy: -2094.854233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.854233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.854233 (E_RNA) where: Base-Base interactions energy: -1468.149 where: short stacking energy: -569.365 Base-Backbone interact. energy: -1.604 local terms energy: -625.101402 where: bonds (distance) C4'-P energy: -129.353 bonds (distance) P-C4' energy: -113.774 flat angles C4'-P-C4' energy: -125.554 flat angles P-C4'-P energy: -93.926 tors. eta vs tors. theta energy: -162.494 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: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -2048.626113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.626113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.626113 (E_RNA) where: Base-Base interactions energy: -1453.461 where: short stacking energy: -585.622 Base-Backbone interact. energy: -4.134 local terms energy: -591.030667 where: bonds (distance) C4'-P energy: -99.400 bonds (distance) P-C4' energy: -107.958 flat angles C4'-P-C4' energy: -124.887 flat angles P-C4'-P energy: -91.928 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: -1916.592086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.592086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.592086 (E_RNA) where: Base-Base interactions energy: -1376.261 where: short stacking energy: -567.069 Base-Backbone interact. energy: 1.930 local terms energy: -542.261823 where: bonds (distance) C4'-P energy: -95.378 bonds (distance) P-C4' energy: -79.778 flat angles C4'-P-C4' energy: -119.491 flat angles P-C4'-P energy: -83.354 tors. eta vs tors. theta energy: -164.262 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: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -821.832839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.832839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.832839 (E_RNA) where: Base-Base interactions energy: -443.760 where: short stacking energy: -206.896 Base-Backbone interact. energy: -2.770 local terms energy: -375.301992 where: bonds (distance) C4'-P energy: -113.387 bonds (distance) P-C4' energy: -109.089 flat angles C4'-P-C4' energy: -93.634 flat angles P-C4'-P energy: -57.870 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2664.425615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.425615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.425615 (E_RNA) where: Base-Base interactions energy: -1895.544 where: short stacking energy: -795.538 Base-Backbone interact. energy: -0.682 local terms energy: -768.199952 where: bonds (distance) C4'-P energy: -122.371 bonds (distance) P-C4' energy: -134.753 flat angles C4'-P-C4' energy: -168.401 flat angles P-C4'-P energy: -107.428 tors. eta vs tors. theta energy: -235.247 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: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2613.880663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.880663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.880663 (E_RNA) where: Base-Base interactions energy: -1860.976 where: short stacking energy: -746.308 Base-Backbone interact. energy: 3.316 local terms energy: -756.220164 where: bonds (distance) C4'-P energy: -135.653 bonds (distance) P-C4' energy: -132.061 flat angles C4'-P-C4' energy: -151.973 flat angles P-C4'-P energy: -101.000 tors. eta vs tors. theta energy: -235.534 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: 3, replica: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2512.234530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.234530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.234530 (E_RNA) where: Base-Base interactions energy: -1781.135 where: short stacking energy: -722.395 Base-Backbone interact. energy: -1.783 local terms energy: -729.316560 where: bonds (distance) C4'-P energy: -127.547 bonds (distance) P-C4' energy: -117.181 flat angles C4'-P-C4' energy: -161.107 flat angles P-C4'-P energy: -104.391 tors. eta vs tors. theta energy: -219.091 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: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2465.956155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.956155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.956155 (E_RNA) where: Base-Base interactions energy: -1749.732 where: short stacking energy: -745.149 Base-Backbone interact. energy: -1.789 local terms energy: -714.435066 where: bonds (distance) C4'-P energy: -117.100 bonds (distance) P-C4' energy: -117.986 flat angles C4'-P-C4' energy: -149.562 flat angles P-C4'-P energy: -96.179 tors. eta vs tors. theta energy: -233.608 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: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2396.364816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.364816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.364816 (E_RNA) where: Base-Base interactions energy: -1723.563 where: short stacking energy: -700.862 Base-Backbone interact. energy: 1.088 local terms energy: -673.889201 where: bonds (distance) C4'-P energy: -109.032 bonds (distance) P-C4' energy: -115.853 flat angles C4'-P-C4' energy: -141.147 flat angles P-C4'-P energy: -92.261 tors. eta vs tors. theta energy: -215.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2253.275259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.275259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.275259 (E_RNA) where: Base-Base interactions energy: -1594.466 where: short stacking energy: -636.381 Base-Backbone interact. energy: -1.433 local terms energy: -657.376106 where: bonds (distance) C4'-P energy: -117.544 bonds (distance) P-C4' energy: -109.027 flat angles C4'-P-C4' energy: -142.331 flat angles P-C4'-P energy: -93.307 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: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2193.452327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.452327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.452327 (E_RNA) where: Base-Base interactions energy: -1569.832 where: short stacking energy: -616.225 Base-Backbone interact. energy: -1.559 local terms energy: -622.061952 where: bonds (distance) C4'-P energy: -101.788 bonds (distance) P-C4' energy: -129.393 flat angles C4'-P-C4' energy: -119.784 flat angles P-C4'-P energy: -83.700 tors. eta vs tors. theta energy: -187.398 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: 8, replica: 8 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -2107.508385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.508385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.508385 (E_RNA) where: Base-Base interactions energy: -1510.651 where: short stacking energy: -618.099 Base-Backbone interact. energy: 3.028 local terms energy: -599.884727 where: bonds (distance) C4'-P energy: -103.230 bonds (distance) P-C4' energy: -113.109 flat angles C4'-P-C4' energy: -117.613 flat angles P-C4'-P energy: -88.295 tors. eta vs tors. theta energy: -177.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1952.347434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.347434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.347434 (E_RNA) where: Base-Base interactions energy: -1390.456 where: short stacking energy: -562.548 Base-Backbone interact. energy: 5.976 local terms energy: -567.867102 where: bonds (distance) C4'-P energy: -110.809 bonds (distance) P-C4' energy: -97.712 flat angles C4'-P-C4' energy: -124.822 flat angles P-C4'-P energy: -83.141 tors. eta vs tors. theta energy: -151.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -778.324008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.324008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.324008 (E_RNA) where: Base-Base interactions energy: -405.506 where: short stacking energy: -217.760 Base-Backbone interact. energy: -1.921 local terms energy: -370.897595 where: bonds (distance) C4'-P energy: -91.754 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -93.312 flat angles P-C4'-P energy: -61.243 tors. eta vs tors. theta energy: -12.631 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: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2653.610269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.610269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.610269 (E_RNA) where: Base-Base interactions energy: -1881.711 where: short stacking energy: -762.576 Base-Backbone interact. energy: -2.661 local terms energy: -769.237997 where: bonds (distance) C4'-P energy: -139.903 bonds (distance) P-C4' energy: -133.278 flat angles C4'-P-C4' energy: -159.131 flat angles P-C4'-P energy: -100.795 tors. eta vs tors. theta energy: -236.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2552.147912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.147912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.147912 (E_RNA) where: Base-Base interactions energy: -1821.457 where: short stacking energy: -744.296 Base-Backbone interact. energy: -1.292 local terms energy: -729.399396 where: bonds (distance) C4'-P energy: -121.619 bonds (distance) P-C4' energy: -125.303 flat angles C4'-P-C4' energy: -153.775 flat angles P-C4'-P energy: -102.639 tors. eta vs tors. theta energy: -226.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2601.568289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.568289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.568289 (E_RNA) where: Base-Base interactions energy: -1860.778 where: short stacking energy: -736.369 Base-Backbone interact. energy: -1.397 local terms energy: -739.393447 where: bonds (distance) C4'-P energy: -111.005 bonds (distance) P-C4' energy: -132.412 flat angles C4'-P-C4' energy: -153.880 flat angles P-C4'-P energy: -106.459 tors. eta vs tors. theta energy: -235.637 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: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2468.415278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.415278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.415278 (E_RNA) where: Base-Base interactions energy: -1742.614 where: short stacking energy: -719.527 Base-Backbone interact. energy: -1.397 local terms energy: -724.403698 where: bonds (distance) C4'-P energy: -117.383 bonds (distance) P-C4' energy: -137.046 flat angles C4'-P-C4' energy: -151.601 flat angles P-C4'-P energy: -94.696 tors. eta vs tors. theta energy: -223.678 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: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2412.864772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.864772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.864772 (E_RNA) where: Base-Base interactions energy: -1730.218 where: short stacking energy: -704.987 Base-Backbone interact. energy: 1.009 local terms energy: -683.655670 where: bonds (distance) C4'-P energy: -123.765 bonds (distance) P-C4' energy: -118.309 flat angles C4'-P-C4' energy: -141.599 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -216.632 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: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2264.842984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.842984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.842984 (E_RNA) where: Base-Base interactions energy: -1606.804 where: short stacking energy: -645.756 Base-Backbone interact. energy: -0.247 local terms energy: -657.791687 where: bonds (distance) C4'-P energy: -113.800 bonds (distance) P-C4' energy: -118.651 flat angles C4'-P-C4' energy: -145.291 flat angles P-C4'-P energy: -91.447 tors. eta vs tors. theta energy: -188.603 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: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2204.520469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.520469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.520469 (E_RNA) where: Base-Base interactions energy: -1570.710 where: short stacking energy: -643.592 Base-Backbone interact. energy: -0.786 local terms energy: -633.024105 where: bonds (distance) C4'-P energy: -116.645 bonds (distance) P-C4' energy: -113.033 flat angles C4'-P-C4' energy: -122.690 flat angles P-C4'-P energy: -92.130 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: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -2122.440705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.440705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.440705 (E_RNA) where: Base-Base interactions energy: -1541.815 where: short stacking energy: -631.407 Base-Backbone interact. energy: 4.506 local terms energy: -585.131500 where: bonds (distance) C4'-P energy: -97.188 bonds (distance) P-C4' energy: -105.604 flat angles C4'-P-C4' energy: -115.685 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -192.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1985.551332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.551332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.551332 (E_RNA) where: Base-Base interactions energy: -1434.033 where: short stacking energy: -594.752 Base-Backbone interact. energy: -1.575 local terms energy: -549.943820 where: bonds (distance) C4'-P energy: -89.181 bonds (distance) P-C4' energy: -91.640 flat angles C4'-P-C4' energy: -127.320 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: -165.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -806.639340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.639340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.639340 (E_RNA) where: Base-Base interactions energy: -425.304 where: short stacking energy: -220.185 Base-Backbone interact. energy: 0.224 local terms energy: -381.558941 where: bonds (distance) C4'-P energy: -110.394 bonds (distance) P-C4' energy: -118.158 flat angles C4'-P-C4' energy: -97.014 flat angles P-C4'-P energy: -60.119 tors. eta vs tors. theta energy: 4.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2654.353661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.353661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.353661 (E_RNA) where: Base-Base interactions energy: -1891.400 where: short stacking energy: -773.613 Base-Backbone interact. energy: -1.843 local terms energy: -761.110434 where: bonds (distance) C4'-P energy: -129.519 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -158.751 flat angles P-C4'-P energy: -112.120 tors. eta vs tors. theta energy: -239.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2592.877390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.877390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.877390 (E_RNA) where: Base-Base interactions energy: -1837.083 where: short stacking energy: -757.306 Base-Backbone interact. energy: -2.937 local terms energy: -752.857658 where: bonds (distance) C4'-P energy: -128.445 bonds (distance) P-C4' energy: -130.286 flat angles C4'-P-C4' energy: -160.404 flat angles P-C4'-P energy: -102.192 tors. eta vs tors. theta energy: -231.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2554.831916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.831916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.831916 (E_RNA) where: Base-Base interactions energy: -1818.688 where: short stacking energy: -751.431 Base-Backbone interact. energy: -0.483 local terms energy: -735.661189 where: bonds (distance) C4'-P energy: -126.321 bonds (distance) P-C4' energy: -123.702 flat angles C4'-P-C4' energy: -154.366 flat angles P-C4'-P energy: -100.493 tors. eta vs tors. theta energy: -230.779 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: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2462.397118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.397118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.397118 (E_RNA) where: Base-Base interactions energy: -1744.265 where: short stacking energy: -712.722 Base-Backbone interact. energy: -2.268 local terms energy: -715.864540 where: bonds (distance) C4'-P energy: -114.949 bonds (distance) P-C4' energy: -125.751 flat angles C4'-P-C4' energy: -153.130 flat angles P-C4'-P energy: -101.018 tors. eta vs tors. theta energy: -221.016 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: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2388.337220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.337220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.337220 (E_RNA) where: Base-Base interactions energy: -1682.678 where: short stacking energy: -674.296 Base-Backbone interact. energy: 1.922 local terms energy: -707.581167 where: bonds (distance) C4'-P energy: -124.570 bonds (distance) P-C4' energy: -137.692 flat angles C4'-P-C4' energy: -141.501 flat angles P-C4'-P energy: -100.109 tors. eta vs tors. theta energy: -203.708 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: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2234.186407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.186407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.186407 (E_RNA) where: Base-Base interactions energy: -1560.118 where: short stacking energy: -655.568 Base-Backbone interact. energy: -2.340 local terms energy: -671.728954 where: bonds (distance) C4'-P energy: -118.545 bonds (distance) P-C4' energy: -109.409 flat angles C4'-P-C4' energy: -142.262 flat angles P-C4'-P energy: -101.192 tors. eta vs tors. theta energy: -200.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2175.680429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.680429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.680429 (E_RNA) where: Base-Base interactions energy: -1556.920 where: short stacking energy: -619.616 Base-Backbone interact. energy: 1.075 local terms energy: -619.835545 where: bonds (distance) C4'-P energy: -106.653 bonds (distance) P-C4' energy: -111.001 flat angles C4'-P-C4' energy: -141.219 flat angles P-C4'-P energy: -76.020 tors. eta vs tors. theta energy: -184.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -2097.026874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.026874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.026874 (E_RNA) where: Base-Base interactions energy: -1472.719 where: short stacking energy: -620.861 Base-Backbone interact. energy: -0.747 local terms energy: -623.560855 where: bonds (distance) C4'-P energy: -101.570 bonds (distance) P-C4' energy: -110.310 flat angles C4'-P-C4' energy: -131.509 flat angles P-C4'-P energy: -94.253 tors. eta vs tors. theta energy: -185.919 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: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1950.153306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.153306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.153306 (E_RNA) where: Base-Base interactions energy: -1380.267 where: short stacking energy: -568.477 Base-Backbone interact. energy: -1.652 local terms energy: -568.235260 where: bonds (distance) C4'-P energy: -104.207 bonds (distance) P-C4' energy: -106.730 flat angles C4'-P-C4' energy: -128.474 flat angles P-C4'-P energy: -73.088 tors. eta vs tors. theta energy: -155.736 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: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -775.380798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.380798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.380798 (E_RNA) where: Base-Base interactions energy: -428.012 where: short stacking energy: -195.523 Base-Backbone interact. energy: -2.662 local terms energy: -344.706308 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -102.273 flat angles C4'-P-C4' energy: -87.916 flat angles P-C4'-P energy: -44.611 tors. eta vs tors. theta energy: 1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2654.585150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.585150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.585150 (E_RNA) where: Base-Base interactions energy: -1881.894 where: short stacking energy: -786.932 Base-Backbone interact. energy: -2.797 local terms energy: -769.894586 where: bonds (distance) C4'-P energy: -128.856 bonds (distance) P-C4' energy: -143.791 flat angles C4'-P-C4' energy: -154.760 flat angles P-C4'-P energy: -103.916 tors. eta vs tors. theta energy: -238.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2630.286554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.286554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.286554 (E_RNA) where: Base-Base interactions energy: -1900.163 where: short stacking energy: -773.485 Base-Backbone interact. energy: 2.053 local terms energy: -732.177248 where: bonds (distance) C4'-P energy: -121.237 bonds (distance) P-C4' energy: -127.081 flat angles C4'-P-C4' energy: -155.287 flat angles P-C4'-P energy: -97.915 tors. eta vs tors. theta energy: -230.657 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: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2524.836311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.836311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.836311 (E_RNA) where: Base-Base interactions energy: -1818.763 where: short stacking energy: -747.710 Base-Backbone interact. energy: -0.063 local terms energy: -706.010444 where: bonds (distance) C4'-P energy: -115.141 bonds (distance) P-C4' energy: -112.496 flat angles C4'-P-C4' energy: -149.920 flat angles P-C4'-P energy: -99.878 tors. eta vs tors. theta energy: -228.575 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: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2430.521259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.521259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.521259 (E_RNA) where: Base-Base interactions energy: -1713.405 where: short stacking energy: -693.990 Base-Backbone interact. energy: 0.256 local terms energy: -717.372778 where: bonds (distance) C4'-P energy: -129.361 bonds (distance) P-C4' energy: -119.613 flat angles C4'-P-C4' energy: -149.519 flat angles P-C4'-P energy: -90.498 tors. eta vs tors. theta energy: -228.382 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: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2367.058663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.058663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.058663 (E_RNA) where: Base-Base interactions energy: -1683.860 where: short stacking energy: -682.445 Base-Backbone interact. energy: -2.388 local terms energy: -680.810872 where: bonds (distance) C4'-P energy: -112.679 bonds (distance) P-C4' energy: -120.918 flat angles C4'-P-C4' energy: -154.704 flat angles P-C4'-P energy: -86.123 tors. eta vs tors. theta energy: -206.387 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: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2192.876040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.876040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.876040 (E_RNA) where: Base-Base interactions energy: -1548.383 where: short stacking energy: -632.915 Base-Backbone interact. energy: -0.629 local terms energy: -643.864074 where: bonds (distance) C4'-P energy: -120.599 bonds (distance) P-C4' energy: -111.762 flat angles C4'-P-C4' energy: -136.757 flat angles P-C4'-P energy: -91.637 tors. eta vs tors. theta energy: -183.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2220.332218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.332218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.332218 (E_RNA) where: Base-Base interactions energy: -1558.152 where: short stacking energy: -654.548 Base-Backbone interact. energy: 0.762 local terms energy: -662.941671 where: bonds (distance) C4'-P energy: -114.507 bonds (distance) P-C4' energy: -129.644 flat angles C4'-P-C4' energy: -128.948 flat angles P-C4'-P energy: -100.497 tors. eta vs tors. theta energy: -189.346 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: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -2050.647512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.647512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.647512 (E_RNA) where: Base-Base interactions energy: -1439.261 where: short stacking energy: -573.899 Base-Backbone interact. energy: -0.853 local terms energy: -610.532974 where: bonds (distance) C4'-P energy: -121.939 bonds (distance) P-C4' energy: -122.764 flat angles C4'-P-C4' energy: -121.718 flat angles P-C4'-P energy: -79.338 tors. eta vs tors. theta energy: -164.773 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: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -2023.736940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.736940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.736940 (E_RNA) where: Base-Base interactions energy: -1445.620 where: short stacking energy: -577.427 Base-Backbone interact. energy: 0.691 local terms energy: -578.808047 where: bonds (distance) C4'-P energy: -101.230 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -136.383 flat angles P-C4'-P energy: -79.761 tors. eta vs tors. theta energy: -172.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -806.387965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.387965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.387965 (E_RNA) where: Base-Base interactions energy: -426.175 where: short stacking energy: -207.937 Base-Backbone interact. energy: 2.203 local terms energy: -382.415879 where: bonds (distance) C4'-P energy: -113.282 bonds (distance) P-C4' energy: -116.013 flat angles C4'-P-C4' energy: -112.574 flat angles P-C4'-P energy: -47.738 tors. eta vs tors. theta energy: 7.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2648.222833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.222833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.222833 (E_RNA) where: Base-Base interactions energy: -1866.401 where: short stacking energy: -762.455 Base-Backbone interact. energy: -1.993 local terms energy: -779.828765 where: bonds (distance) C4'-P energy: -132.960 bonds (distance) P-C4' energy: -144.997 flat angles C4'-P-C4' energy: -154.023 flat angles P-C4'-P energy: -106.035 tors. eta vs tors. theta energy: -241.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2599.734163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.734163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.734163 (E_RNA) where: Base-Base interactions energy: -1866.434 where: short stacking energy: -748.520 Base-Backbone interact. energy: -0.055 local terms energy: -733.245214 where: bonds (distance) C4'-P energy: -119.686 bonds (distance) P-C4' energy: -132.601 flat angles C4'-P-C4' energy: -141.453 flat angles P-C4'-P energy: -108.031 tors. eta vs tors. theta energy: -231.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2544.886115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.886115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.886115 (E_RNA) where: Base-Base interactions energy: -1805.756 where: short stacking energy: -746.480 Base-Backbone interact. energy: -1.600 local terms energy: -737.529463 where: bonds (distance) C4'-P energy: -132.635 bonds (distance) P-C4' energy: -129.998 flat angles C4'-P-C4' energy: -152.745 flat angles P-C4'-P energy: -103.567 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: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2472.661576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.661576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.661576 (E_RNA) where: Base-Base interactions energy: -1768.798 where: short stacking energy: -746.481 Base-Backbone interact. energy: -1.034 local terms energy: -702.828941 where: bonds (distance) C4'-P energy: -110.640 bonds (distance) P-C4' energy: -125.360 flat angles C4'-P-C4' energy: -145.028 flat angles P-C4'-P energy: -109.332 tors. eta vs tors. theta energy: -212.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2395.611785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.611785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.611785 (E_RNA) where: Base-Base interactions energy: -1695.076 where: short stacking energy: -677.352 Base-Backbone interact. energy: -1.186 local terms energy: -699.350366 where: bonds (distance) C4'-P energy: -141.357 bonds (distance) P-C4' energy: -100.590 flat angles C4'-P-C4' energy: -152.530 flat angles P-C4'-P energy: -90.759 tors. eta vs tors. theta energy: -214.115 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: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2216.861254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.861254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.861254 (E_RNA) where: Base-Base interactions energy: -1583.900 where: short stacking energy: -623.939 Base-Backbone interact. energy: 3.091 local terms energy: -636.051671 where: bonds (distance) C4'-P energy: -118.701 bonds (distance) P-C4' energy: -118.250 flat angles C4'-P-C4' energy: -119.566 flat angles P-C4'-P energy: -98.906 tors. eta vs tors. theta energy: -180.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2204.459789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.459789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.459789 (E_RNA) where: Base-Base interactions energy: -1583.122 where: short stacking energy: -672.071 Base-Backbone interact. energy: -2.457 local terms energy: -618.880804 where: bonds (distance) C4'-P energy: -112.121 bonds (distance) P-C4' energy: -116.492 flat angles C4'-P-C4' energy: -118.937 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -193.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -2061.515139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.515139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.515139 (E_RNA) where: Base-Base interactions energy: -1458.016 where: short stacking energy: -594.906 Base-Backbone interact. energy: 6.985 local terms energy: -610.483555 where: bonds (distance) C4'-P energy: -86.111 bonds (distance) P-C4' energy: -121.606 flat angles C4'-P-C4' energy: -131.409 flat angles P-C4'-P energy: -93.083 tors. eta vs tors. theta energy: -178.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -2010.736400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.736400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.736400 (E_RNA) where: Base-Base interactions energy: -1438.762 where: short stacking energy: -552.498 Base-Backbone interact. energy: 2.900 local terms energy: -574.874100 where: bonds (distance) C4'-P energy: -113.478 bonds (distance) P-C4' energy: -93.192 flat angles C4'-P-C4' energy: -129.952 flat angles P-C4'-P energy: -81.115 tors. eta vs tors. theta energy: -157.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -863.110991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.110991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.110991 (E_RNA) where: Base-Base interactions energy: -533.713 where: short stacking energy: -225.488 Base-Backbone interact. energy: 12.443 local terms energy: -341.840406 where: bonds (distance) C4'-P energy: -107.095 bonds (distance) P-C4' energy: -95.368 flat angles C4'-P-C4' energy: -79.700 flat angles P-C4'-P energy: -62.734 tors. eta vs tors. theta energy: 3.057 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: 271 Temperature: 0.900000 Total energy: -2644.938273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.938273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.938273 (E_RNA) where: Base-Base interactions energy: -1881.877 where: short stacking energy: -765.460 Base-Backbone interact. energy: -0.025 local terms energy: -763.036402 where: bonds (distance) C4'-P energy: -141.170 bonds (distance) P-C4' energy: -124.864 flat angles C4'-P-C4' energy: -164.871 flat angles P-C4'-P energy: -102.557 tors. eta vs tors. theta energy: -229.575 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: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2606.456313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.456313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.456313 (E_RNA) where: Base-Base interactions energy: -1869.250 where: short stacking energy: -767.562 Base-Backbone interact. energy: 4.484 local terms energy: -741.690540 where: bonds (distance) C4'-P energy: -135.104 bonds (distance) P-C4' energy: -118.365 flat angles C4'-P-C4' energy: -145.255 flat angles P-C4'-P energy: -112.119 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: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2531.497273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.497273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.497273 (E_RNA) where: Base-Base interactions energy: -1768.832 where: short stacking energy: -714.469 Base-Backbone interact. energy: -2.018 local terms energy: -760.647149 where: bonds (distance) C4'-P energy: -135.060 bonds (distance) P-C4' energy: -131.547 flat angles C4'-P-C4' energy: -158.609 flat angles P-C4'-P energy: -104.386 tors. eta vs tors. theta energy: -231.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2450.674699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.674699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.674699 (E_RNA) where: Base-Base interactions energy: -1749.639 where: short stacking energy: -703.814 Base-Backbone interact. energy: -1.808 local terms energy: -699.226970 where: bonds (distance) C4'-P energy: -117.911 bonds (distance) P-C4' energy: -124.193 flat angles C4'-P-C4' energy: -150.249 flat angles P-C4'-P energy: -90.393 tors. eta vs tors. theta energy: -216.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2405.642401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.642401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.642401 (E_RNA) where: Base-Base interactions energy: -1716.110 where: short stacking energy: -693.836 Base-Backbone interact. energy: -1.302 local terms energy: -688.230195 where: bonds (distance) C4'-P energy: -114.488 bonds (distance) P-C4' energy: -126.319 flat angles C4'-P-C4' energy: -139.964 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -214.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2246.252182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.252182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.252182 (E_RNA) where: Base-Base interactions energy: -1589.285 where: short stacking energy: -637.864 Base-Backbone interact. energy: -1.766 local terms energy: -655.201320 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -118.917 flat angles C4'-P-C4' energy: -139.376 flat angles P-C4'-P energy: -95.060 tors. eta vs tors. theta energy: -189.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2200.281062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.281062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.281062 (E_RNA) where: Base-Base interactions energy: -1564.890 where: short stacking energy: -644.724 Base-Backbone interact. energy: -0.853 local terms energy: -634.537096 where: bonds (distance) C4'-P energy: -106.636 bonds (distance) P-C4' energy: -113.355 flat angles C4'-P-C4' energy: -139.448 flat angles P-C4'-P energy: -82.788 tors. eta vs tors. theta energy: -192.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -2051.257414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.257414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.257414 (E_RNA) where: Base-Base interactions energy: -1435.963 where: short stacking energy: -589.553 Base-Backbone interact. energy: -0.471 local terms energy: -614.822749 where: bonds (distance) C4'-P energy: -115.878 bonds (distance) P-C4' energy: -113.968 flat angles C4'-P-C4' energy: -144.306 flat angles P-C4'-P energy: -69.233 tors. eta vs tors. theta energy: -171.438 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: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1929.112472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.112472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.112472 (E_RNA) where: Base-Base interactions energy: -1370.729 where: short stacking energy: -539.248 Base-Backbone interact. energy: 1.050 local terms energy: -559.433278 where: bonds (distance) C4'-P energy: -103.220 bonds (distance) P-C4' energy: -94.189 flat angles C4'-P-C4' energy: -120.054 flat angles P-C4'-P energy: -81.933 tors. eta vs tors. theta energy: -160.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -843.639191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.639191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.639191 (E_RNA) where: Base-Base interactions energy: -470.185 where: short stacking energy: -250.893 Base-Backbone interact. energy: 1.971 local terms energy: -375.425080 where: bonds (distance) C4'-P energy: -98.928 bonds (distance) P-C4' energy: -110.495 flat angles C4'-P-C4' energy: -96.174 flat angles P-C4'-P energy: -61.330 tors. eta vs tors. theta energy: -8.499 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: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2625.843103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.843103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.843103 (E_RNA) where: Base-Base interactions energy: -1847.009 where: short stacking energy: -729.266 Base-Backbone interact. energy: -1.579 local terms energy: -777.255541 where: bonds (distance) C4'-P energy: -131.286 bonds (distance) P-C4' energy: -135.188 flat angles C4'-P-C4' energy: -160.048 flat angles P-C4'-P energy: -118.084 tors. eta vs tors. theta energy: -232.648 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: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2599.496043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.496043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.496043 (E_RNA) where: Base-Base interactions energy: -1855.491 where: short stacking energy: -755.622 Base-Backbone interact. energy: -0.425 local terms energy: -743.580714 where: bonds (distance) C4'-P energy: -131.583 bonds (distance) P-C4' energy: -117.826 flat angles C4'-P-C4' energy: -161.354 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -236.868 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: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2506.066207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.066207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.066207 (E_RNA) where: Base-Base interactions energy: -1772.518 where: short stacking energy: -735.871 Base-Backbone interact. energy: -1.203 local terms energy: -732.345833 where: bonds (distance) C4'-P energy: -111.896 bonds (distance) P-C4' energy: -132.258 flat angles C4'-P-C4' energy: -163.720 flat angles P-C4'-P energy: -100.548 tors. eta vs tors. theta energy: -223.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2467.459427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.459427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.459427 (E_RNA) where: Base-Base interactions energy: -1742.133 where: short stacking energy: -741.420 Base-Backbone interact. energy: 1.003 local terms energy: -726.329834 where: bonds (distance) C4'-P energy: -118.324 bonds (distance) P-C4' energy: -124.027 flat angles C4'-P-C4' energy: -154.406 flat angles P-C4'-P energy: -98.100 tors. eta vs tors. theta energy: -231.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2380.184155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.184155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.184155 (E_RNA) where: Base-Base interactions energy: -1673.210 where: short stacking energy: -713.917 Base-Backbone interact. energy: -1.433 local terms energy: -705.541780 where: bonds (distance) C4'-P energy: -123.152 bonds (distance) P-C4' energy: -118.609 flat angles C4'-P-C4' energy: -142.284 flat angles P-C4'-P energy: -102.645 tors. eta vs tors. theta energy: -218.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2319.351505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.351505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.351505 (E_RNA) where: Base-Base interactions energy: -1634.332 where: short stacking energy: -655.595 Base-Backbone interact. energy: 2.709 local terms energy: -687.728770 where: bonds (distance) C4'-P energy: -125.901 bonds (distance) P-C4' energy: -127.042 flat angles C4'-P-C4' energy: -146.479 flat angles P-C4'-P energy: -94.843 tors. eta vs tors. theta energy: -193.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2208.399764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.399764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.399764 (E_RNA) where: Base-Base interactions energy: -1547.324 where: short stacking energy: -634.204 Base-Backbone interact. energy: -1.764 local terms energy: -659.311661 where: bonds (distance) C4'-P energy: -121.713 bonds (distance) P-C4' energy: -115.364 flat angles C4'-P-C4' energy: -147.861 flat angles P-C4'-P energy: -79.994 tors. eta vs tors. theta energy: -194.380 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: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -2047.394859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.394859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.394859 (E_RNA) where: Base-Base interactions energy: -1434.820 where: short stacking energy: -587.619 Base-Backbone interact. energy: -1.821 local terms energy: -610.753830 where: bonds (distance) C4'-P energy: -114.448 bonds (distance) P-C4' energy: -99.524 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -66.727 tors. eta vs tors. theta energy: -173.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1975.245285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.245285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.245285 (E_RNA) where: Base-Base interactions energy: -1363.223 where: short stacking energy: -544.089 Base-Backbone interact. energy: -0.849 local terms energy: -611.172459 where: bonds (distance) C4'-P energy: -109.108 bonds (distance) P-C4' energy: -123.502 flat angles C4'-P-C4' energy: -122.867 flat angles P-C4'-P energy: -91.816 tors. eta vs tors. theta energy: -163.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -821.790552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.790552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.790552 (E_RNA) where: Base-Base interactions energy: -453.536 where: short stacking energy: -224.145 Base-Backbone interact. energy: 1.945 local terms energy: -370.200464 where: bonds (distance) C4'-P energy: -99.535 bonds (distance) P-C4' energy: -109.963 flat angles C4'-P-C4' energy: -84.068 flat angles P-C4'-P energy: -64.644 tors. eta vs tors. theta energy: -11.991 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: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2664.448140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.448140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.448140 (E_RNA) where: Base-Base interactions energy: -1888.710 where: short stacking energy: -747.196 Base-Backbone interact. energy: -3.506 local terms energy: -772.232175 where: bonds (distance) C4'-P energy: -135.538 bonds (distance) P-C4' energy: -138.305 flat angles C4'-P-C4' energy: -149.676 flat angles P-C4'-P energy: -115.735 tors. eta vs tors. theta energy: -232.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2609.227352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.227352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.227352 (E_RNA) where: Base-Base interactions energy: -1859.674 where: short stacking energy: -788.611 Base-Backbone interact. energy: -2.836 local terms energy: -746.717963 where: bonds (distance) C4'-P energy: -121.032 bonds (distance) P-C4' energy: -130.121 flat angles C4'-P-C4' energy: -155.048 flat angles P-C4'-P energy: -101.499 tors. eta vs tors. theta energy: -239.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2512.659287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.659287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.659287 (E_RNA) where: Base-Base interactions energy: -1780.148 where: short stacking energy: -748.060 Base-Backbone interact. energy: -1.534 local terms energy: -730.977081 where: bonds (distance) C4'-P energy: -123.190 bonds (distance) P-C4' energy: -111.759 flat angles C4'-P-C4' energy: -164.003 flat angles P-C4'-P energy: -101.784 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: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2453.206244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.206244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.206244 (E_RNA) where: Base-Base interactions energy: -1752.318 where: short stacking energy: -724.802 Base-Backbone interact. energy: -1.624 local terms energy: -699.264074 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -150.663 flat angles P-C4'-P energy: -96.207 tors. eta vs tors. theta energy: -224.687 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: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2411.559654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.559654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.559654 (E_RNA) where: Base-Base interactions energy: -1721.709 where: short stacking energy: -690.788 Base-Backbone interact. energy: -0.310 local terms energy: -689.540703 where: bonds (distance) C4'-P energy: -105.734 bonds (distance) P-C4' energy: -136.021 flat angles C4'-P-C4' energy: -149.283 flat angles P-C4'-P energy: -89.860 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: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2284.103794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.103794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.103794 (E_RNA) where: Base-Base interactions energy: -1627.684 where: short stacking energy: -643.909 Base-Backbone interact. energy: 1.218 local terms energy: -657.638302 where: bonds (distance) C4'-P energy: -111.768 bonds (distance) P-C4' energy: -117.141 flat angles C4'-P-C4' energy: -140.429 flat angles P-C4'-P energy: -100.414 tors. eta vs tors. theta energy: -187.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2214.060722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.060722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.060722 (E_RNA) where: Base-Base interactions energy: -1549.954 where: short stacking energy: -643.819 Base-Backbone interact. energy: 1.064 local terms energy: -665.171327 where: bonds (distance) C4'-P energy: -109.684 bonds (distance) P-C4' energy: -124.425 flat angles C4'-P-C4' energy: -140.821 flat angles P-C4'-P energy: -95.062 tors. eta vs tors. theta energy: -195.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -2053.856046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.856046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.856046 (E_RNA) where: Base-Base interactions energy: -1428.045 where: short stacking energy: -591.421 Base-Backbone interact. energy: -1.477 local terms energy: -624.334291 where: bonds (distance) C4'-P energy: -115.251 bonds (distance) P-C4' energy: -116.940 flat angles C4'-P-C4' energy: -133.189 flat angles P-C4'-P energy: -81.264 tors. eta vs tors. theta energy: -177.690 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: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1996.208198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.208198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.208198 (E_RNA) where: Base-Base interactions energy: -1408.498 where: short stacking energy: -593.839 Base-Backbone interact. energy: -1.131 local terms energy: -586.578761 where: bonds (distance) C4'-P energy: -113.889 bonds (distance) P-C4' energy: -93.494 flat angles C4'-P-C4' energy: -122.847 flat angles P-C4'-P energy: -91.807 tors. eta vs tors. theta energy: -164.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -893.631746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.631746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.631746 (E_RNA) where: Base-Base interactions energy: -511.650 where: short stacking energy: -250.142 Base-Backbone interact. energy: 1.730 local terms energy: -383.711520 where: bonds (distance) C4'-P energy: -113.236 bonds (distance) P-C4' energy: -127.231 flat angles C4'-P-C4' energy: -80.507 flat angles P-C4'-P energy: -50.689 tors. eta vs tors. theta energy: -12.048 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: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2657.234469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.234469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.234469 (E_RNA) where: Base-Base interactions energy: -1898.530 where: short stacking energy: -755.393 Base-Backbone interact. energy: -1.899 local terms energy: -756.806033 where: bonds (distance) C4'-P energy: -144.350 bonds (distance) P-C4' energy: -123.752 flat angles C4'-P-C4' energy: -154.170 flat angles P-C4'-P energy: -104.072 tors. eta vs tors. theta energy: -230.464 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: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2624.413958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.413958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.413958 (E_RNA) where: Base-Base interactions energy: -1874.789 where: short stacking energy: -774.404 Base-Backbone interact. energy: -2.112 local terms energy: -747.513075 where: bonds (distance) C4'-P energy: -126.857 bonds (distance) P-C4' energy: -131.092 flat angles C4'-P-C4' energy: -156.561 flat angles P-C4'-P energy: -97.384 tors. eta vs tors. theta energy: -235.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2566.838368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.838368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.838368 (E_RNA) where: Base-Base interactions energy: -1818.560 where: short stacking energy: -771.383 Base-Backbone interact. energy: -0.706 local terms energy: -747.572992 where: bonds (distance) C4'-P energy: -123.134 bonds (distance) P-C4' energy: -124.881 flat angles C4'-P-C4' energy: -152.853 flat angles P-C4'-P energy: -113.281 tors. eta vs tors. theta energy: -233.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2468.104344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.104344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.104344 (E_RNA) where: Base-Base interactions energy: -1748.307 where: short stacking energy: -738.226 Base-Backbone interact. energy: -1.629 local terms energy: -718.168586 where: bonds (distance) C4'-P energy: -120.223 bonds (distance) P-C4' energy: -118.386 flat angles C4'-P-C4' energy: -156.710 flat angles P-C4'-P energy: -101.631 tors. eta vs tors. theta energy: -221.218 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: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2387.074403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.074403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.074403 (E_RNA) where: Base-Base interactions energy: -1725.643 where: short stacking energy: -688.357 Base-Backbone interact. energy: -2.422 local terms energy: -659.009715 where: bonds (distance) C4'-P energy: -117.699 bonds (distance) P-C4' energy: -109.616 flat angles C4'-P-C4' energy: -145.164 flat angles P-C4'-P energy: -86.537 tors. eta vs tors. theta energy: -199.994 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: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2308.429790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.429790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.429790 (E_RNA) where: Base-Base interactions energy: -1642.425 where: short stacking energy: -670.223 Base-Backbone interact. energy: -2.138 local terms energy: -663.866196 where: bonds (distance) C4'-P energy: -111.835 bonds (distance) P-C4' energy: -120.863 flat angles C4'-P-C4' energy: -129.267 flat angles P-C4'-P energy: -85.008 tors. eta vs tors. theta energy: -216.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2249.969686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.969686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.969686 (E_RNA) where: Base-Base interactions energy: -1606.450 where: short stacking energy: -658.272 Base-Backbone interact. energy: 2.641 local terms energy: -646.161051 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -109.106 flat angles C4'-P-C4' energy: -137.771 flat angles P-C4'-P energy: -95.594 tors. eta vs tors. theta energy: -198.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -2084.990329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.990329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.990329 (E_RNA) where: Base-Base interactions energy: -1472.343 where: short stacking energy: -603.271 Base-Backbone interact. energy: 3.981 local terms energy: -616.628993 where: bonds (distance) C4'-P energy: -106.586 bonds (distance) P-C4' energy: -114.457 flat angles C4'-P-C4' energy: -125.401 flat angles P-C4'-P energy: -81.162 tors. eta vs tors. theta energy: -189.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1988.133384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.133384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.133384 (E_RNA) where: Base-Base interactions energy: -1429.518 where: short stacking energy: -568.655 Base-Backbone interact. energy: 1.350 local terms energy: -559.965562 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -99.279 flat angles C4'-P-C4' energy: -121.898 flat angles P-C4'-P energy: -81.987 tors. eta vs tors. theta energy: -165.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -956.068127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.068127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.068127 (E_RNA) where: Base-Base interactions energy: -574.468 where: short stacking energy: -293.822 Base-Backbone interact. energy: 7.457 local terms energy: -389.056602 where: bonds (distance) C4'-P energy: -88.677 bonds (distance) P-C4' energy: -95.948 flat angles C4'-P-C4' energy: -97.710 flat angles P-C4'-P energy: -74.786 tors. eta vs tors. theta energy: -31.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2649.150210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.150210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.150210 (E_RNA) where: Base-Base interactions energy: -1907.061 where: short stacking energy: -765.213 Base-Backbone interact. energy: 0.214 local terms energy: -742.303664 where: bonds (distance) C4'-P energy: -122.371 bonds (distance) P-C4' energy: -130.587 flat angles C4'-P-C4' energy: -141.201 flat angles P-C4'-P energy: -114.136 tors. eta vs tors. theta energy: -234.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2599.698990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.698990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.698990 (E_RNA) where: Base-Base interactions energy: -1886.806 where: short stacking energy: -778.882 Base-Backbone interact. energy: -0.677 local terms energy: -712.216537 where: bonds (distance) C4'-P energy: -110.704 bonds (distance) P-C4' energy: -113.418 flat angles C4'-P-C4' energy: -141.991 flat angles P-C4'-P energy: -108.623 tors. eta vs tors. theta energy: -237.481 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: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2531.376038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.376038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.376038 (E_RNA) where: Base-Base interactions energy: -1813.525 where: short stacking energy: -761.463 Base-Backbone interact. energy: -2.047 local terms energy: -715.803749 where: bonds (distance) C4'-P energy: -122.776 bonds (distance) P-C4' energy: -120.412 flat angles C4'-P-C4' energy: -144.629 flat angles P-C4'-P energy: -98.797 tors. eta vs tors. theta energy: -229.190 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: 275 Temperature: 1.050000 Total energy: -2446.506620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.506620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.506620 (E_RNA) where: Base-Base interactions energy: -1734.716 where: short stacking energy: -728.248 Base-Backbone interact. energy: 0.288 local terms energy: -712.078502 where: bonds (distance) C4'-P energy: -114.471 bonds (distance) P-C4' energy: -125.998 flat angles C4'-P-C4' energy: -151.272 flat angles P-C4'-P energy: -94.740 tors. eta vs tors. theta energy: -225.597 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: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2346.192472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.192472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.192472 (E_RNA) where: Base-Base interactions energy: -1677.216 where: short stacking energy: -676.396 Base-Backbone interact. energy: -3.772 local terms energy: -665.203929 where: bonds (distance) C4'-P energy: -119.572 bonds (distance) P-C4' energy: -116.339 flat angles C4'-P-C4' energy: -138.322 flat angles P-C4'-P energy: -88.531 tors. eta vs tors. theta energy: -202.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2365.442087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.442087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.442087 (E_RNA) where: Base-Base interactions energy: -1682.091 where: short stacking energy: -705.517 Base-Backbone interact. energy: -1.247 local terms energy: -682.104271 where: bonds (distance) C4'-P energy: -112.924 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -145.236 flat angles P-C4'-P energy: -88.593 tors. eta vs tors. theta energy: -218.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2202.155574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.155574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.155574 (E_RNA) where: Base-Base interactions energy: -1584.083 where: short stacking energy: -647.924 Base-Backbone interact. energy: -3.014 local terms energy: -615.058672 where: bonds (distance) C4'-P energy: -106.620 bonds (distance) P-C4' energy: -104.919 flat angles C4'-P-C4' energy: -135.488 flat angles P-C4'-P energy: -76.196 tors. eta vs tors. theta energy: -191.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -2119.466600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.466600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.466600 (E_RNA) where: Base-Base interactions energy: -1488.713 where: short stacking energy: -623.339 Base-Backbone interact. energy: 1.636 local terms energy: -632.389084 where: bonds (distance) C4'-P energy: -104.121 bonds (distance) P-C4' energy: -114.836 flat angles C4'-P-C4' energy: -136.264 flat angles P-C4'-P energy: -90.287 tors. eta vs tors. theta energy: -186.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1968.320852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.320852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.320852 (E_RNA) where: Base-Base interactions energy: -1397.928 where: short stacking energy: -560.142 Base-Backbone interact. energy: -0.311 local terms energy: -570.081628 where: bonds (distance) C4'-P energy: -95.939 bonds (distance) P-C4' energy: -110.724 flat angles C4'-P-C4' energy: -130.284 flat angles P-C4'-P energy: -77.235 tors. eta vs tors. theta energy: -155.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -812.412350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.412350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.412350 (E_RNA) where: Base-Base interactions energy: -454.721 where: short stacking energy: -233.742 Base-Backbone interact. energy: -2.163 local terms energy: -355.528195 where: bonds (distance) C4'-P energy: -97.928 bonds (distance) P-C4' energy: -111.511 flat angles C4'-P-C4' energy: -102.366 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: 11.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2666.952495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.952495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.952495 (E_RNA) where: Base-Base interactions energy: -1889.755 where: short stacking energy: -766.852 Base-Backbone interact. energy: 1.125 local terms energy: -778.322120 where: bonds (distance) C4'-P energy: -136.492 bonds (distance) P-C4' energy: -128.607 flat angles C4'-P-C4' energy: -164.226 flat angles P-C4'-P energy: -112.571 tors. eta vs tors. theta energy: -236.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2623.491181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.491181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.491181 (E_RNA) where: Base-Base interactions energy: -1869.619 where: short stacking energy: -751.029 Base-Backbone interact. energy: -2.229 local terms energy: -751.643661 where: bonds (distance) C4'-P energy: -130.334 bonds (distance) P-C4' energy: -136.831 flat angles C4'-P-C4' energy: -158.134 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -225.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2495.140235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.140235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.140235 (E_RNA) where: Base-Base interactions energy: -1743.746 where: short stacking energy: -721.624 Base-Backbone interact. energy: -0.003 local terms energy: -751.391191 where: bonds (distance) C4'-P energy: -133.073 bonds (distance) P-C4' energy: -130.577 flat angles C4'-P-C4' energy: -152.240 flat angles P-C4'-P energy: -104.941 tors. eta vs tors. theta energy: -230.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2435.870389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.870389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.870389 (E_RNA) where: Base-Base interactions energy: -1736.236 where: short stacking energy: -702.841 Base-Backbone interact. energy: -2.270 local terms energy: -697.364280 where: bonds (distance) C4'-P energy: -104.565 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -154.719 flat angles P-C4'-P energy: -98.238 tors. eta vs tors. theta energy: -227.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2420.565531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.565531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.565531 (E_RNA) where: Base-Base interactions energy: -1705.138 where: short stacking energy: -710.543 Base-Backbone interact. energy: -2.014 local terms energy: -713.413192 where: bonds (distance) C4'-P energy: -116.836 bonds (distance) P-C4' energy: -122.768 flat angles C4'-P-C4' energy: -150.327 flat angles P-C4'-P energy: -97.173 tors. eta vs tors. theta energy: -226.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2323.462158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.462158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.462158 (E_RNA) where: Base-Base interactions energy: -1671.737 where: short stacking energy: -671.237 Base-Backbone interact. energy: -2.687 local terms energy: -649.038251 where: bonds (distance) C4'-P energy: -110.515 bonds (distance) P-C4' energy: -122.140 flat angles C4'-P-C4' energy: -125.365 flat angles P-C4'-P energy: -83.808 tors. eta vs tors. theta energy: -207.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2253.884140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.884140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.884140 (E_RNA) where: Base-Base interactions energy: -1598.899 where: short stacking energy: -661.662 Base-Backbone interact. energy: -1.656 local terms energy: -653.328806 where: bonds (distance) C4'-P energy: -119.651 bonds (distance) P-C4' energy: -117.509 flat angles C4'-P-C4' energy: -133.153 flat angles P-C4'-P energy: -89.942 tors. eta vs tors. theta energy: -193.075 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: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -2047.374808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.374808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.374808 (E_RNA) where: Base-Base interactions energy: -1427.295 where: short stacking energy: -558.518 Base-Backbone interact. energy: -0.625 local terms energy: -619.454868 where: bonds (distance) C4'-P energy: -103.261 bonds (distance) P-C4' energy: -120.666 flat angles C4'-P-C4' energy: -135.459 flat angles P-C4'-P energy: -96.671 tors. eta vs tors. theta energy: -163.398 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: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1970.658762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.658762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.658762 (E_RNA) where: Base-Base interactions energy: -1395.621 where: short stacking energy: -555.739 Base-Backbone interact. energy: 1.736 local terms energy: -576.773432 where: bonds (distance) C4'-P energy: -106.917 bonds (distance) P-C4' energy: -99.012 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -96.770 tors. eta vs tors. theta energy: -149.736 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: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -810.458956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.458956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.458956 (E_RNA) where: Base-Base interactions energy: -432.307 where: short stacking energy: -245.708 Base-Backbone interact. energy: 6.006 local terms energy: -384.157945 where: bonds (distance) C4'-P energy: -117.633 bonds (distance) P-C4' energy: -101.485 flat angles C4'-P-C4' energy: -86.491 flat angles P-C4'-P energy: -73.483 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2663.083537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.083537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.083537 (E_RNA) where: Base-Base interactions energy: -1901.691 where: short stacking energy: -778.882 Base-Backbone interact. energy: -2.150 local terms energy: -759.242036 where: bonds (distance) C4'-P energy: -137.498 bonds (distance) P-C4' energy: -130.113 flat angles C4'-P-C4' energy: -158.506 flat angles P-C4'-P energy: -98.380 tors. eta vs tors. theta energy: -234.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2624.329280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.329280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.329280 (E_RNA) where: Base-Base interactions energy: -1886.400 where: short stacking energy: -748.409 Base-Backbone interact. energy: 2.706 local terms energy: -740.635499 where: bonds (distance) C4'-P energy: -123.188 bonds (distance) P-C4' energy: -126.252 flat angles C4'-P-C4' energy: -154.101 flat angles P-C4'-P energy: -111.030 tors. eta vs tors. theta energy: -226.065 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: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2502.881973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.881973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.881973 (E_RNA) where: Base-Base interactions energy: -1778.380 where: short stacking energy: -741.042 Base-Backbone interact. energy: -2.315 local terms energy: -722.186288 where: bonds (distance) C4'-P energy: -126.457 bonds (distance) P-C4' energy: -127.470 flat angles C4'-P-C4' energy: -146.154 flat angles P-C4'-P energy: -90.814 tors. eta vs tors. theta energy: -231.291 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: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2472.108499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.108499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.108499 (E_RNA) where: Base-Base interactions energy: -1764.127 where: short stacking energy: -727.038 Base-Backbone interact. energy: -1.835 local terms energy: -706.147211 where: bonds (distance) C4'-P energy: -114.593 bonds (distance) P-C4' energy: -107.777 flat angles C4'-P-C4' energy: -154.593 flat angles P-C4'-P energy: -101.539 tors. eta vs tors. theta energy: -227.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2404.074352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.074352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.074352 (E_RNA) where: Base-Base interactions energy: -1707.594 where: short stacking energy: -691.442 Base-Backbone interact. energy: 3.656 local terms energy: -700.136382 where: bonds (distance) C4'-P energy: -120.565 bonds (distance) P-C4' energy: -121.373 flat angles C4'-P-C4' energy: -153.894 flat angles P-C4'-P energy: -91.494 tors. eta vs tors. theta energy: -212.811 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: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2300.493269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.493269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.493269 (E_RNA) where: Base-Base interactions energy: -1637.962 where: short stacking energy: -660.487 Base-Backbone interact. energy: -3.984 local terms energy: -658.547350 where: bonds (distance) C4'-P energy: -125.145 bonds (distance) P-C4' energy: -111.180 flat angles C4'-P-C4' energy: -135.608 flat angles P-C4'-P energy: -92.791 tors. eta vs tors. theta energy: -193.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2222.625310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.625310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.625310 (E_RNA) where: Base-Base interactions energy: -1592.025 where: short stacking energy: -663.455 Base-Backbone interact. energy: 8.165 local terms energy: -638.764928 where: bonds (distance) C4'-P energy: -116.407 bonds (distance) P-C4' energy: -113.077 flat angles C4'-P-C4' energy: -125.952 flat angles P-C4'-P energy: -90.167 tors. eta vs tors. theta energy: -193.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -2035.922918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.922918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.922918 (E_RNA) where: Base-Base interactions energy: -1467.994 where: short stacking energy: -594.239 Base-Backbone interact. energy: -1.113 local terms energy: -566.815600 where: bonds (distance) C4'-P energy: -92.428 bonds (distance) P-C4' energy: -112.537 flat angles C4'-P-C4' energy: -133.276 flat angles P-C4'-P energy: -73.100 tors. eta vs tors. theta energy: -155.474 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: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -2006.924438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.924438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.924438 (E_RNA) where: Base-Base interactions energy: -1407.688 where: short stacking energy: -586.808 Base-Backbone interact. energy: -1.400 local terms energy: -597.837259 where: bonds (distance) C4'-P energy: -101.922 bonds (distance) P-C4' energy: -96.170 flat angles C4'-P-C4' energy: -131.960 flat angles P-C4'-P energy: -83.206 tors. eta vs tors. theta energy: -184.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -771.603966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.603966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.603966 (E_RNA) where: Base-Base interactions energy: -396.840 where: short stacking energy: -204.206 Base-Backbone interact. energy: 0.492 local terms energy: -375.255872 where: bonds (distance) C4'-P energy: -108.844 bonds (distance) P-C4' energy: -97.031 flat angles C4'-P-C4' energy: -96.444 flat angles P-C4'-P energy: -64.972 tors. eta vs tors. theta energy: -7.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2666.367985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.367985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.367985 (E_RNA) where: Base-Base interactions energy: -1880.211 where: short stacking energy: -767.865 Base-Backbone interact. energy: -0.047 local terms energy: -786.110114 where: bonds (distance) C4'-P energy: -142.591 bonds (distance) P-C4' energy: -125.314 flat angles C4'-P-C4' energy: -164.635 flat angles P-C4'-P energy: -113.344 tors. eta vs tors. theta energy: -240.227 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: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2633.195975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.195975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.195975 (E_RNA) where: Base-Base interactions energy: -1886.423 where: short stacking energy: -744.512 Base-Backbone interact. energy: -1.812 local terms energy: -744.961894 where: bonds (distance) C4'-P energy: -119.832 bonds (distance) P-C4' energy: -125.620 flat angles C4'-P-C4' energy: -156.209 flat angles P-C4'-P energy: -109.225 tors. eta vs tors. theta energy: -234.075 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: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2512.379219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.379219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.379219 (E_RNA) where: Base-Base interactions energy: -1787.051 where: short stacking energy: -745.527 Base-Backbone interact. energy: -2.721 local terms energy: -722.607596 where: bonds (distance) C4'-P energy: -124.533 bonds (distance) P-C4' energy: -128.326 flat angles C4'-P-C4' energy: -147.208 flat angles P-C4'-P energy: -101.703 tors. eta vs tors. theta energy: -220.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2447.419780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.419780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.419780 (E_RNA) where: Base-Base interactions energy: -1724.149 where: short stacking energy: -690.065 Base-Backbone interact. energy: -1.183 local terms energy: -722.087733 where: bonds (distance) C4'-P energy: -126.291 bonds (distance) P-C4' energy: -118.578 flat angles C4'-P-C4' energy: -144.969 flat angles P-C4'-P energy: -108.835 tors. eta vs tors. theta energy: -223.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2330.914969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.914969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.914969 (E_RNA) where: Base-Base interactions energy: -1686.855 where: short stacking energy: -686.919 Base-Backbone interact. energy: -2.269 local terms energy: -641.790429 where: bonds (distance) C4'-P energy: -115.684 bonds (distance) P-C4' energy: -107.424 flat angles C4'-P-C4' energy: -132.455 flat angles P-C4'-P energy: -92.542 tors. eta vs tors. theta energy: -193.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2339.875084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.875084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.875084 (E_RNA) where: Base-Base interactions energy: -1647.609 where: short stacking energy: -673.328 Base-Backbone interact. energy: -0.171 local terms energy: -692.094934 where: bonds (distance) C4'-P energy: -111.821 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -147.115 flat angles P-C4'-P energy: -92.991 tors. eta vs tors. theta energy: -213.372 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: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2252.990097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.990097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.990097 (E_RNA) where: Base-Base interactions energy: -1583.406 where: short stacking energy: -643.610 Base-Backbone interact. energy: -4.676 local terms energy: -664.908395 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -112.530 flat angles C4'-P-C4' energy: -151.821 flat angles P-C4'-P energy: -104.948 tors. eta vs tors. theta energy: -187.373 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: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -2064.763133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.763133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.763133 (E_RNA) where: Base-Base interactions energy: -1458.651 where: short stacking energy: -585.088 Base-Backbone interact. energy: 2.284 local terms energy: -608.395806 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -104.658 flat angles C4'-P-C4' energy: -138.369 flat angles P-C4'-P energy: -97.086 tors. eta vs tors. theta energy: -160.275 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: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1993.315055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.315055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.315055 (E_RNA) where: Base-Base interactions energy: -1377.330 where: short stacking energy: -581.044 Base-Backbone interact. energy: -1.550 local terms energy: -614.434443 where: bonds (distance) C4'-P energy: -111.563 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -134.311 flat angles P-C4'-P energy: -75.218 tors. eta vs tors. theta energy: -180.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -864.490363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.490363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.490363 (E_RNA) where: Base-Base interactions energy: -445.864 where: short stacking energy: -218.219 Base-Backbone interact. energy: 1.302 local terms energy: -419.928284 where: bonds (distance) C4'-P energy: -98.898 bonds (distance) P-C4' energy: -112.261 flat angles C4'-P-C4' energy: -126.558 flat angles P-C4'-P energy: -54.090 tors. eta vs tors. theta energy: -28.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2664.051787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.051787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.051787 (E_RNA) where: Base-Base interactions energy: -1911.710 where: short stacking energy: -799.737 Base-Backbone interact. energy: -1.150 local terms energy: -751.192097 where: bonds (distance) C4'-P energy: -114.714 bonds (distance) P-C4' energy: -133.931 flat angles C4'-P-C4' energy: -157.799 flat angles P-C4'-P energy: -109.684 tors. eta vs tors. theta energy: -235.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2619.628445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.628445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.628445 (E_RNA) where: Base-Base interactions energy: -1877.120 where: short stacking energy: -760.524 Base-Backbone interact. energy: -0.087 local terms energy: -742.421995 where: bonds (distance) C4'-P energy: -126.130 bonds (distance) P-C4' energy: -125.754 flat angles C4'-P-C4' energy: -150.575 flat angles P-C4'-P energy: -102.338 tors. eta vs tors. theta energy: -237.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2558.043364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.043364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.043364 (E_RNA) where: Base-Base interactions energy: -1819.629 where: short stacking energy: -737.775 Base-Backbone interact. energy: -2.382 local terms energy: -736.031823 where: bonds (distance) C4'-P energy: -134.557 bonds (distance) P-C4' energy: -111.291 flat angles C4'-P-C4' energy: -159.725 flat angles P-C4'-P energy: -100.828 tors. eta vs tors. theta energy: -229.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2405.415548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.415548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.415548 (E_RNA) where: Base-Base interactions energy: -1702.491 where: short stacking energy: -695.421 Base-Backbone interact. energy: -0.891 local terms energy: -702.033355 where: bonds (distance) C4'-P energy: -132.094 bonds (distance) P-C4' energy: -117.275 flat angles C4'-P-C4' energy: -141.079 flat angles P-C4'-P energy: -101.752 tors. eta vs tors. theta energy: -209.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2412.273594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.273594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.273594 (E_RNA) where: Base-Base interactions energy: -1705.465 where: short stacking energy: -697.192 Base-Backbone interact. energy: -1.036 local terms energy: -705.772672 where: bonds (distance) C4'-P energy: -129.447 bonds (distance) P-C4' energy: -117.739 flat angles C4'-P-C4' energy: -144.125 flat angles P-C4'-P energy: -95.127 tors. eta vs tors. theta energy: -219.334 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: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2314.717825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.717825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.717825 (E_RNA) where: Base-Base interactions energy: -1641.945 where: short stacking energy: -673.457 Base-Backbone interact. energy: -0.847 local terms energy: -671.925513 where: bonds (distance) C4'-P energy: -117.797 bonds (distance) P-C4' energy: -124.220 flat angles C4'-P-C4' energy: -134.755 flat angles P-C4'-P energy: -90.960 tors. eta vs tors. theta energy: -204.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2220.097111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.097111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.097111 (E_RNA) where: Base-Base interactions energy: -1571.024 where: short stacking energy: -619.344 Base-Backbone interact. energy: 2.686 local terms energy: -651.758297 where: bonds (distance) C4'-P energy: -115.409 bonds (distance) P-C4' energy: -118.325 flat angles C4'-P-C4' energy: -148.849 flat angles P-C4'-P energy: -93.682 tors. eta vs tors. theta energy: -175.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -2057.294128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.294128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.294128 (E_RNA) where: Base-Base interactions energy: -1465.436 where: short stacking energy: -593.064 Base-Backbone interact. energy: -0.217 local terms energy: -591.640946 where: bonds (distance) C4'-P energy: -97.957 bonds (distance) P-C4' energy: -111.235 flat angles C4'-P-C4' energy: -126.147 flat angles P-C4'-P energy: -93.683 tors. eta vs tors. theta energy: -162.618 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: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1907.189295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.189295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.189295 (E_RNA) where: Base-Base interactions energy: -1336.418 where: short stacking energy: -536.389 Base-Backbone interact. energy: -0.606 local terms energy: -570.165310 where: bonds (distance) C4'-P energy: -93.419 bonds (distance) P-C4' energy: -107.069 flat angles C4'-P-C4' energy: -127.278 flat angles P-C4'-P energy: -85.604 tors. eta vs tors. theta energy: -156.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -790.777078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.777078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.777078 (E_RNA) where: Base-Base interactions energy: -455.641 where: short stacking energy: -225.282 Base-Backbone interact. energy: 3.132 local terms energy: -338.268330 where: bonds (distance) C4'-P energy: -90.762 bonds (distance) P-C4' energy: -114.809 flat angles C4'-P-C4' energy: -85.291 flat angles P-C4'-P energy: -41.033 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2649.234401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.234401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.234401 (E_RNA) where: Base-Base interactions energy: -1883.480 where: short stacking energy: -753.983 Base-Backbone interact. energy: -1.479 local terms energy: -764.275705 where: bonds (distance) C4'-P energy: -125.828 bonds (distance) P-C4' energy: -130.281 flat angles C4'-P-C4' energy: -159.176 flat angles P-C4'-P energy: -116.520 tors. eta vs tors. theta energy: -232.471 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: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2601.882242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.882242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.882242 (E_RNA) where: Base-Base interactions energy: -1857.742 where: short stacking energy: -765.951 Base-Backbone interact. energy: -1.901 local terms energy: -742.239593 where: bonds (distance) C4'-P energy: -115.099 bonds (distance) P-C4' energy: -133.257 flat angles C4'-P-C4' energy: -159.343 flat angles P-C4'-P energy: -101.676 tors. eta vs tors. theta energy: -232.865 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: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2566.811783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.811783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.811783 (E_RNA) where: Base-Base interactions energy: -1836.516 where: short stacking energy: -752.379 Base-Backbone interact. energy: 4.005 local terms energy: -734.300425 where: bonds (distance) C4'-P energy: -144.574 bonds (distance) P-C4' energy: -114.082 flat angles C4'-P-C4' energy: -152.765 flat angles P-C4'-P energy: -102.924 tors. eta vs tors. theta energy: -219.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2406.721805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.721805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.721805 (E_RNA) where: Base-Base interactions energy: -1718.149 where: short stacking energy: -696.806 Base-Backbone interact. energy: -2.859 local terms energy: -685.712976 where: bonds (distance) C4'-P energy: -127.350 bonds (distance) P-C4' energy: -119.619 flat angles C4'-P-C4' energy: -134.404 flat angles P-C4'-P energy: -105.618 tors. eta vs tors. theta energy: -198.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2408.736530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.736530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.736530 (E_RNA) where: Base-Base interactions energy: -1705.453 where: short stacking energy: -695.655 Base-Backbone interact. energy: -2.171 local terms energy: -701.112188 where: bonds (distance) C4'-P energy: -124.112 bonds (distance) P-C4' energy: -108.762 flat angles C4'-P-C4' energy: -148.502 flat angles P-C4'-P energy: -105.531 tors. eta vs tors. theta energy: -214.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2295.769786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.769786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.769786 (E_RNA) where: Base-Base interactions energy: -1659.112 where: short stacking energy: -671.115 Base-Backbone interact. energy: -0.590 local terms energy: -636.067731 where: bonds (distance) C4'-P energy: -115.937 bonds (distance) P-C4' energy: -102.864 flat angles C4'-P-C4' energy: -130.594 flat angles P-C4'-P energy: -80.847 tors. eta vs tors. theta energy: -205.826 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: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2219.570484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.570484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.570484 (E_RNA) where: Base-Base interactions energy: -1564.568 where: short stacking energy: -617.175 Base-Backbone interact. energy: 0.386 local terms energy: -655.388467 where: bonds (distance) C4'-P energy: -117.597 bonds (distance) P-C4' energy: -114.877 flat angles C4'-P-C4' energy: -135.163 flat angles P-C4'-P energy: -95.394 tors. eta vs tors. theta energy: -192.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -2089.512438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.512438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.512438 (E_RNA) where: Base-Base interactions energy: -1491.911 where: short stacking energy: -599.492 Base-Backbone interact. energy: 2.777 local terms energy: -600.378349 where: bonds (distance) C4'-P energy: -104.564 bonds (distance) P-C4' energy: -102.420 flat angles C4'-P-C4' energy: -133.295 flat angles P-C4'-P energy: -75.791 tors. eta vs tors. theta energy: -184.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1898.534464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.534464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.534464 (E_RNA) where: Base-Base interactions energy: -1318.603 where: short stacking energy: -551.346 Base-Backbone interact. energy: 9.134 local terms energy: -589.065346 where: bonds (distance) C4'-P energy: -116.481 bonds (distance) P-C4' energy: -113.138 flat angles C4'-P-C4' energy: -116.629 flat angles P-C4'-P energy: -89.471 tors. eta vs tors. theta energy: -153.346 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: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -810.660796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.660796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.660796 (E_RNA) where: Base-Base interactions energy: -454.266 where: short stacking energy: -220.439 Base-Backbone interact. energy: -0.851 local terms energy: -355.543247 where: bonds (distance) C4'-P energy: -89.250 bonds (distance) P-C4' energy: -92.000 flat angles C4'-P-C4' energy: -92.966 flat angles P-C4'-P energy: -70.308 tors. eta vs tors. theta energy: -11.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2655.153805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.153805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.153805 (E_RNA) where: Base-Base interactions energy: -1871.256 where: short stacking energy: -772.669 Base-Backbone interact. energy: -3.770 local terms energy: -780.128441 where: bonds (distance) C4'-P energy: -141.309 bonds (distance) P-C4' energy: -135.361 flat angles C4'-P-C4' energy: -166.285 flat angles P-C4'-P energy: -106.979 tors. eta vs tors. theta energy: -230.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2614.802330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.802330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.802330 (E_RNA) where: Base-Base interactions energy: -1868.386 where: short stacking energy: -756.289 Base-Backbone interact. energy: -2.854 local terms energy: -743.562117 where: bonds (distance) C4'-P energy: -133.749 bonds (distance) P-C4' energy: -119.894 flat angles C4'-P-C4' energy: -148.855 flat angles P-C4'-P energy: -105.892 tors. eta vs tors. theta energy: -235.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2548.467876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.467876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.467876 (E_RNA) where: Base-Base interactions energy: -1780.447 where: short stacking energy: -746.434 Base-Backbone interact. energy: -3.245 local terms energy: -764.776111 where: bonds (distance) C4'-P energy: -129.935 bonds (distance) P-C4' energy: -141.462 flat angles C4'-P-C4' energy: -160.987 flat angles P-C4'-P energy: -108.058 tors. eta vs tors. theta energy: -224.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2503.260724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.260724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.260724 (E_RNA) where: Base-Base interactions energy: -1807.772 where: short stacking energy: -734.400 Base-Backbone interact. energy: -2.634 local terms energy: -692.854443 where: bonds (distance) C4'-P energy: -94.254 bonds (distance) P-C4' energy: -120.509 flat angles C4'-P-C4' energy: -146.357 flat angles P-C4'-P energy: -99.661 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: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2355.692969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.692969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.692969 (E_RNA) where: Base-Base interactions energy: -1688.942 where: short stacking energy: -681.634 Base-Backbone interact. energy: 1.181 local terms energy: -667.931814 where: bonds (distance) C4'-P energy: -104.446 bonds (distance) P-C4' energy: -125.023 flat angles C4'-P-C4' energy: -149.993 flat angles P-C4'-P energy: -95.198 tors. eta vs tors. theta energy: -193.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2263.819513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.819513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.819513 (E_RNA) where: Base-Base interactions energy: -1625.949 where: short stacking energy: -671.482 Base-Backbone interact. energy: -2.872 local terms energy: -634.998617 where: bonds (distance) C4'-P energy: -95.751 bonds (distance) P-C4' energy: -107.698 flat angles C4'-P-C4' energy: -145.898 flat angles P-C4'-P energy: -87.954 tors. eta vs tors. theta energy: -197.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2291.141480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.141480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.141480 (E_RNA) where: Base-Base interactions energy: -1639.933 where: short stacking energy: -666.601 Base-Backbone interact. energy: 0.385 local terms energy: -651.594361 where: bonds (distance) C4'-P energy: -117.960 bonds (distance) P-C4' energy: -99.099 flat angles C4'-P-C4' energy: -134.205 flat angles P-C4'-P energy: -87.883 tors. eta vs tors. theta energy: -212.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -2070.341661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.341661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.341661 (E_RNA) where: Base-Base interactions energy: -1464.214 where: short stacking energy: -599.232 Base-Backbone interact. energy: 4.626 local terms energy: -610.753299 where: bonds (distance) C4'-P energy: -92.585 bonds (distance) P-C4' energy: -110.432 flat angles C4'-P-C4' energy: -142.764 flat angles P-C4'-P energy: -77.990 tors. eta vs tors. theta energy: -186.983 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: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1945.280395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.280395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.280395 (E_RNA) where: Base-Base interactions energy: -1351.961 where: short stacking energy: -554.141 Base-Backbone interact. energy: 2.501 local terms energy: -595.820577 where: bonds (distance) C4'-P energy: -110.525 bonds (distance) P-C4' energy: -114.777 flat angles C4'-P-C4' energy: -129.164 flat angles P-C4'-P energy: -70.081 tors. eta vs tors. theta energy: -171.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -842.737370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.737370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.737370 (E_RNA) where: Base-Base interactions energy: -473.420 where: short stacking energy: -227.035 Base-Backbone interact. energy: -2.403 local terms energy: -366.913760 where: bonds (distance) C4'-P energy: -78.620 bonds (distance) P-C4' energy: -114.606 flat angles C4'-P-C4' energy: -110.943 flat angles P-C4'-P energy: -59.394 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2669.958741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.958741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.958741 (E_RNA) where: Base-Base interactions energy: -1899.042 where: short stacking energy: -765.976 Base-Backbone interact. energy: -0.642 local terms energy: -770.274944 where: bonds (distance) C4'-P energy: -128.152 bonds (distance) P-C4' energy: -133.059 flat angles C4'-P-C4' energy: -162.427 flat angles P-C4'-P energy: -107.736 tors. eta vs tors. theta energy: -238.901 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: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2608.422813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.422813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.422813 (E_RNA) where: Base-Base interactions energy: -1837.999 where: short stacking energy: -758.538 Base-Backbone interact. energy: -0.611 local terms energy: -769.813012 where: bonds (distance) C4'-P energy: -128.662 bonds (distance) P-C4' energy: -134.794 flat angles C4'-P-C4' energy: -160.723 flat angles P-C4'-P energy: -107.725 tors. eta vs tors. theta energy: -237.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2515.668262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.668262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.668262 (E_RNA) where: Base-Base interactions energy: -1781.049 where: short stacking energy: -715.981 Base-Backbone interact. energy: -0.847 local terms energy: -733.772600 where: bonds (distance) C4'-P energy: -135.666 bonds (distance) P-C4' energy: -127.669 flat angles C4'-P-C4' energy: -149.514 flat angles P-C4'-P energy: -97.516 tors. eta vs tors. theta energy: -223.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2474.109846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.109846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.109846 (E_RNA) where: Base-Base interactions energy: -1746.294 where: short stacking energy: -713.592 Base-Backbone interact. energy: 0.496 local terms energy: -728.312600 where: bonds (distance) C4'-P energy: -125.496 bonds (distance) P-C4' energy: -134.195 flat angles C4'-P-C4' energy: -151.030 flat angles P-C4'-P energy: -93.140 tors. eta vs tors. theta energy: -224.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2352.911790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.911790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.911790 (E_RNA) where: Base-Base interactions energy: -1697.844 where: short stacking energy: -676.174 Base-Backbone interact. energy: -0.152 local terms energy: -654.916457 where: bonds (distance) C4'-P energy: -118.245 bonds (distance) P-C4' energy: -124.066 flat angles C4'-P-C4' energy: -142.429 flat angles P-C4'-P energy: -80.409 tors. eta vs tors. theta energy: -189.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2235.458665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.458665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.458665 (E_RNA) where: Base-Base interactions energy: -1585.836 where: short stacking energy: -627.291 Base-Backbone interact. energy: -1.560 local terms energy: -648.062493 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -126.511 flat angles C4'-P-C4' energy: -129.857 flat angles P-C4'-P energy: -85.897 tors. eta vs tors. theta energy: -193.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2256.638735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.638735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.638735 (E_RNA) where: Base-Base interactions energy: -1598.284 where: short stacking energy: -662.954 Base-Backbone interact. energy: -0.954 local terms energy: -657.400812 where: bonds (distance) C4'-P energy: -111.698 bonds (distance) P-C4' energy: -115.686 flat angles C4'-P-C4' energy: -145.925 flat angles P-C4'-P energy: -73.198 tors. eta vs tors. theta energy: -210.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -2074.440728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.440728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.440728 (E_RNA) where: Base-Base interactions energy: -1458.985 where: short stacking energy: -601.702 Base-Backbone interact. energy: -1.161 local terms energy: -614.294320 where: bonds (distance) C4'-P energy: -105.409 bonds (distance) P-C4' energy: -107.849 flat angles C4'-P-C4' energy: -133.889 flat angles P-C4'-P energy: -85.437 tors. eta vs tors. theta energy: -181.710 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: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1919.805726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.805726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.805726 (E_RNA) where: Base-Base interactions energy: -1332.974 where: short stacking energy: -535.227 Base-Backbone interact. energy: -1.911 local terms energy: -584.921273 where: bonds (distance) C4'-P energy: -101.378 bonds (distance) P-C4' energy: -109.632 flat angles C4'-P-C4' energy: -130.004 flat angles P-C4'-P energy: -87.850 tors. eta vs tors. theta energy: -156.058 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -787.475118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.475118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.475118 (E_RNA) where: Base-Base interactions energy: -428.178 where: short stacking energy: -214.219 Base-Backbone interact. energy: 1.035 local terms energy: -360.331830 where: bonds (distance) C4'-P energy: -117.448 bonds (distance) P-C4' energy: -98.197 flat angles C4'-P-C4' energy: -97.022 flat angles P-C4'-P energy: -47.196 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2671.374774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.374774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.374774 (E_RNA) where: Base-Base interactions energy: -1908.988 where: short stacking energy: -768.606 Base-Backbone interact. energy: -1.118 local terms energy: -761.268201 where: bonds (distance) C4'-P energy: -130.003 bonds (distance) P-C4' energy: -142.937 flat angles C4'-P-C4' energy: -158.423 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -227.068 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: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2620.589640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.589640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.589640 (E_RNA) where: Base-Base interactions energy: -1856.417 where: short stacking energy: -759.007 Base-Backbone interact. energy: 1.981 local terms energy: -766.153764 where: bonds (distance) C4'-P energy: -130.865 bonds (distance) P-C4' energy: -146.341 flat angles C4'-P-C4' energy: -153.599 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -237.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2535.680593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.680593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.680593 (E_RNA) where: Base-Base interactions energy: -1807.093 where: short stacking energy: -735.132 Base-Backbone interact. energy: -1.078 local terms energy: -727.509465 where: bonds (distance) C4'-P energy: -119.017 bonds (distance) P-C4' energy: -129.542 flat angles C4'-P-C4' energy: -149.075 flat angles P-C4'-P energy: -105.301 tors. eta vs tors. theta energy: -224.575 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: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2486.258397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.258397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.258397 (E_RNA) where: Base-Base interactions energy: -1778.889 where: short stacking energy: -738.513 Base-Backbone interact. energy: -4.519 local terms energy: -702.850107 where: bonds (distance) C4'-P energy: -116.829 bonds (distance) P-C4' energy: -122.508 flat angles C4'-P-C4' energy: -143.662 flat angles P-C4'-P energy: -94.622 tors. eta vs tors. theta energy: -225.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2371.156923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.156923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.156923 (E_RNA) where: Base-Base interactions energy: -1693.770 where: short stacking energy: -692.967 Base-Backbone interact. energy: -0.963 local terms energy: -676.424677 where: bonds (distance) C4'-P energy: -118.657 bonds (distance) P-C4' energy: -121.274 flat angles C4'-P-C4' energy: -149.077 flat angles P-C4'-P energy: -85.401 tors. eta vs tors. theta energy: -202.016 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: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2342.444720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.444720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.444720 (E_RNA) where: Base-Base interactions energy: -1684.111 where: short stacking energy: -673.822 Base-Backbone interact. energy: -3.368 local terms energy: -654.965608 where: bonds (distance) C4'-P energy: -104.180 bonds (distance) P-C4' energy: -105.402 flat angles C4'-P-C4' energy: -151.536 flat angles P-C4'-P energy: -86.810 tors. eta vs tors. theta energy: -207.039 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: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2262.729794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.729794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.729794 (E_RNA) where: Base-Base interactions energy: -1596.948 where: short stacking energy: -647.599 Base-Backbone interact. energy: -2.061 local terms energy: -663.720832 where: bonds (distance) C4'-P energy: -113.964 bonds (distance) P-C4' energy: -115.914 flat angles C4'-P-C4' energy: -135.407 flat angles P-C4'-P energy: -94.730 tors. eta vs tors. theta energy: -203.706 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: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -2042.219523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.219523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.219523 (E_RNA) where: Base-Base interactions energy: -1432.692 where: short stacking energy: -597.075 Base-Backbone interact. energy: -1.055 local terms energy: -608.473000 where: bonds (distance) C4'-P energy: -110.125 bonds (distance) P-C4' energy: -106.185 flat angles C4'-P-C4' energy: -123.929 flat angles P-C4'-P energy: -106.340 tors. eta vs tors. theta energy: -161.894 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: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1814.540016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.540016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.540016 (E_RNA) where: Base-Base interactions energy: -1257.944 where: short stacking energy: -549.443 Base-Backbone interact. energy: 3.198 local terms energy: -559.794271 where: bonds (distance) C4'-P energy: -104.378 bonds (distance) P-C4' energy: -101.972 flat angles C4'-P-C4' energy: -121.134 flat angles P-C4'-P energy: -73.959 tors. eta vs tors. theta energy: -158.351 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: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -807.852969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.852969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.852969 (E_RNA) where: Base-Base interactions energy: -440.745 where: short stacking energy: -216.049 Base-Backbone interact. energy: 1.361 local terms energy: -368.468324 where: bonds (distance) C4'-P energy: -117.101 bonds (distance) P-C4' energy: -109.258 flat angles C4'-P-C4' energy: -87.672 flat angles P-C4'-P energy: -50.863 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2695.354498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.354498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.354498 (E_RNA) where: Base-Base interactions energy: -1914.999 where: short stacking energy: -765.761 Base-Backbone interact. energy: -1.613 local terms energy: -778.741797 where: bonds (distance) C4'-P energy: -124.112 bonds (distance) P-C4' energy: -139.253 flat angles C4'-P-C4' energy: -162.272 flat angles P-C4'-P energy: -111.319 tors. eta vs tors. theta energy: -241.787 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: 284 Temperature: 0.950000 Total energy: -2583.108992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.108992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.108992 (E_RNA) where: Base-Base interactions energy: -1849.152 where: short stacking energy: -748.589 Base-Backbone interact. energy: -1.237 local terms energy: -732.719288 where: bonds (distance) C4'-P energy: -123.439 bonds (distance) P-C4' energy: -127.924 flat angles C4'-P-C4' energy: -161.829 flat angles P-C4'-P energy: -98.482 tors. eta vs tors. theta energy: -221.045 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: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2500.562042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.562042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.562042 (E_RNA) where: Base-Base interactions energy: -1761.237 where: short stacking energy: -729.701 Base-Backbone interact. energy: -1.967 local terms energy: -737.358332 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -120.970 flat angles C4'-P-C4' energy: -153.174 flat angles P-C4'-P energy: -115.729 tors. eta vs tors. theta energy: -224.306 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: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2477.718850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.718850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.718850 (E_RNA) where: Base-Base interactions energy: -1762.626 where: short stacking energy: -730.542 Base-Backbone interact. energy: 0.252 local terms energy: -715.344223 where: bonds (distance) C4'-P energy: -118.093 bonds (distance) P-C4' energy: -130.323 flat angles C4'-P-C4' energy: -143.543 flat angles P-C4'-P energy: -88.396 tors. eta vs tors. theta energy: -234.989 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: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2361.343571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.343571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.343571 (E_RNA) where: Base-Base interactions energy: -1674.065 where: short stacking energy: -677.734 Base-Backbone interact. energy: 1.492 local terms energy: -688.770516 where: bonds (distance) C4'-P energy: -112.103 bonds (distance) P-C4' energy: -125.471 flat angles C4'-P-C4' energy: -149.921 flat angles P-C4'-P energy: -94.239 tors. eta vs tors. theta energy: -207.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2320.488727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.488727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.488727 (E_RNA) where: Base-Base interactions energy: -1676.531 where: short stacking energy: -667.484 Base-Backbone interact. energy: 0.264 local terms energy: -644.222240 where: bonds (distance) C4'-P energy: -108.348 bonds (distance) P-C4' energy: -112.357 flat angles C4'-P-C4' energy: -137.268 flat angles P-C4'-P energy: -89.436 tors. eta vs tors. theta energy: -196.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2244.231598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.231598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.231598 (E_RNA) where: Base-Base interactions energy: -1578.795 where: short stacking energy: -675.124 Base-Backbone interact. energy: -1.047 local terms energy: -664.389591 where: bonds (distance) C4'-P energy: -113.710 bonds (distance) P-C4' energy: -111.739 flat angles C4'-P-C4' energy: -139.435 flat angles P-C4'-P energy: -94.827 tors. eta vs tors. theta energy: -204.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -2049.370554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.370554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.370554 (E_RNA) where: Base-Base interactions energy: -1445.819 where: short stacking energy: -581.805 Base-Backbone interact. energy: 1.691 local terms energy: -605.243357 where: bonds (distance) C4'-P energy: -102.670 bonds (distance) P-C4' energy: -110.230 flat angles C4'-P-C4' energy: -135.749 flat angles P-C4'-P energy: -93.397 tors. eta vs tors. theta energy: -163.196 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: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1872.436817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.436817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.436817 (E_RNA) where: Base-Base interactions energy: -1293.552 where: short stacking energy: -549.666 Base-Backbone interact. energy: -1.267 local terms energy: -577.617487 where: bonds (distance) C4'-P energy: -97.302 bonds (distance) P-C4' energy: -115.040 flat angles C4'-P-C4' energy: -119.123 flat angles P-C4'-P energy: -91.673 tors. eta vs tors. theta energy: -154.479 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: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -839.227223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.227223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.227223 (E_RNA) where: Base-Base interactions energy: -475.442 where: short stacking energy: -208.164 Base-Backbone interact. energy: 0.531 local terms energy: -364.315910 where: bonds (distance) C4'-P energy: -97.447 bonds (distance) P-C4' energy: -105.349 flat angles C4'-P-C4' energy: -94.449 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2697.481465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.481465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.481465 (E_RNA) where: Base-Base interactions energy: -1921.633 where: short stacking energy: -771.255 Base-Backbone interact. energy: -1.861 local terms energy: -773.987538 where: bonds (distance) C4'-P energy: -143.726 bonds (distance) P-C4' energy: -137.583 flat angles C4'-P-C4' energy: -154.807 flat angles P-C4'-P energy: -104.046 tors. eta vs tors. theta energy: -233.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2579.459909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.459909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.459909 (E_RNA) where: Base-Base interactions energy: -1857.337 where: short stacking energy: -778.081 Base-Backbone interact. energy: -0.400 local terms energy: -721.723218 where: bonds (distance) C4'-P energy: -116.728 bonds (distance) P-C4' energy: -118.600 flat angles C4'-P-C4' energy: -159.090 flat angles P-C4'-P energy: -97.947 tors. eta vs tors. theta energy: -229.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2521.013804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.013804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.013804 (E_RNA) where: Base-Base interactions energy: -1809.148 where: short stacking energy: -744.408 Base-Backbone interact. energy: 4.377 local terms energy: -716.242436 where: bonds (distance) C4'-P energy: -118.355 bonds (distance) P-C4' energy: -122.916 flat angles C4'-P-C4' energy: -147.075 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -232.176 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: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2480.101148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.101148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.101148 (E_RNA) where: Base-Base interactions energy: -1764.677 where: short stacking energy: -735.073 Base-Backbone interact. energy: -0.811 local terms energy: -714.612892 where: bonds (distance) C4'-P energy: -118.133 bonds (distance) P-C4' energy: -129.361 flat angles C4'-P-C4' energy: -140.780 flat angles P-C4'-P energy: -101.612 tors. eta vs tors. theta energy: -224.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2354.975516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.975516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.975516 (E_RNA) where: Base-Base interactions energy: -1664.522 where: short stacking energy: -665.780 Base-Backbone interact. energy: 2.490 local terms energy: -692.943328 where: bonds (distance) C4'-P energy: -113.072 bonds (distance) P-C4' energy: -121.897 flat angles C4'-P-C4' energy: -143.148 flat angles P-C4'-P energy: -110.776 tors. eta vs tors. theta energy: -204.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2346.362256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.362256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.362256 (E_RNA) where: Base-Base interactions energy: -1676.667 where: short stacking energy: -704.189 Base-Backbone interact. energy: 1.132 local terms energy: -670.828054 where: bonds (distance) C4'-P energy: -103.480 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -87.338 tors. eta vs tors. theta energy: -215.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2217.507651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.507651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.507651 (E_RNA) where: Base-Base interactions energy: -1622.033 where: short stacking energy: -630.196 Base-Backbone interact. energy: -1.045 local terms energy: -594.430014 where: bonds (distance) C4'-P energy: -118.205 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -131.795 flat angles P-C4'-P energy: -73.124 tors. eta vs tors. theta energy: -185.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -2093.981861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.981861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.981861 (E_RNA) where: Base-Base interactions energy: -1522.541 where: short stacking energy: -608.736 Base-Backbone interact. energy: 0.960 local terms energy: -572.401090 where: bonds (distance) C4'-P energy: -93.278 bonds (distance) P-C4' energy: -108.169 flat angles C4'-P-C4' energy: -119.683 flat angles P-C4'-P energy: -77.536 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: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1835.467628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.467628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.467628 (E_RNA) where: Base-Base interactions energy: -1287.217 where: short stacking energy: -537.713 Base-Backbone interact. energy: -2.382 local terms energy: -545.868160 where: bonds (distance) C4'-P energy: -94.169 bonds (distance) P-C4' energy: -105.344 flat angles C4'-P-C4' energy: -113.969 flat angles P-C4'-P energy: -77.595 tors. eta vs tors. theta energy: -154.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -869.054670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.054670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.054670 (E_RNA) where: Base-Base interactions energy: -490.610 where: short stacking energy: -224.087 Base-Backbone interact. energy: 0.352 local terms energy: -378.796551 where: bonds (distance) C4'-P energy: -92.222 bonds (distance) P-C4' energy: -106.640 flat angles C4'-P-C4' energy: -92.316 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -20.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2678.142713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.142713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.142713 (E_RNA) where: Base-Base interactions energy: -1895.599 where: short stacking energy: -760.778 Base-Backbone interact. energy: -0.598 local terms energy: -781.946229 where: bonds (distance) C4'-P energy: -135.391 bonds (distance) P-C4' energy: -141.933 flat angles C4'-P-C4' energy: -160.319 flat angles P-C4'-P energy: -107.285 tors. eta vs tors. theta energy: -237.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2610.033319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.033319 (E_RNA) where: Base-Base interactions energy: -1862.314 where: short stacking energy: -752.311 Base-Backbone interact. energy: -1.645 local terms energy: -746.074520 where: bonds (distance) C4'-P energy: -128.239 bonds (distance) P-C4' energy: -130.545 flat angles C4'-P-C4' energy: -151.477 flat angles P-C4'-P energy: -109.113 tors. eta vs tors. theta energy: -226.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2539.899344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.899344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.899344 (E_RNA) where: Base-Base interactions energy: -1809.898 where: short stacking energy: -745.456 Base-Backbone interact. energy: 1.041 local terms energy: -731.042520 where: bonds (distance) C4'-P energy: -127.107 bonds (distance) P-C4' energy: -124.696 flat angles C4'-P-C4' energy: -144.049 flat angles P-C4'-P energy: -106.730 tors. eta vs tors. theta energy: -228.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2486.045178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.045178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.045178 (E_RNA) where: Base-Base interactions energy: -1787.356 where: short stacking energy: -737.686 Base-Backbone interact. energy: -2.056 local terms energy: -696.633483 where: bonds (distance) C4'-P energy: -123.994 bonds (distance) P-C4' energy: -114.510 flat angles C4'-P-C4' energy: -140.605 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -228.585 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: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2334.299567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.299567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.299567 (E_RNA) where: Base-Base interactions energy: -1626.433 where: short stacking energy: -669.735 Base-Backbone interact. energy: -3.676 local terms energy: -704.190778 where: bonds (distance) C4'-P energy: -124.807 bonds (distance) P-C4' energy: -128.624 flat angles C4'-P-C4' energy: -141.315 flat angles P-C4'-P energy: -98.850 tors. eta vs tors. theta energy: -210.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2348.137865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.137865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.137865 (E_RNA) where: Base-Base interactions energy: -1651.481 where: short stacking energy: -668.791 Base-Backbone interact. energy: 0.267 local terms energy: -696.923753 where: bonds (distance) C4'-P energy: -114.501 bonds (distance) P-C4' energy: -114.918 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -90.297 tors. eta vs tors. theta energy: -220.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2204.768850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.768850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.768850 (E_RNA) where: Base-Base interactions energy: -1581.563 where: short stacking energy: -621.766 Base-Backbone interact. energy: -1.042 local terms energy: -622.163248 where: bonds (distance) C4'-P energy: -105.959 bonds (distance) P-C4' energy: -103.297 flat angles C4'-P-C4' energy: -136.382 flat angles P-C4'-P energy: -96.737 tors. eta vs tors. theta energy: -179.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -2078.260550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.260550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.260550 (E_RNA) where: Base-Base interactions energy: -1455.493 where: short stacking energy: -589.306 Base-Backbone interact. energy: 2.867 local terms energy: -625.635010 where: bonds (distance) C4'-P energy: -100.263 bonds (distance) P-C4' energy: -108.749 flat angles C4'-P-C4' energy: -137.646 flat angles P-C4'-P energy: -105.681 tors. eta vs tors. theta energy: -173.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1816.436064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.436064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.436064 (E_RNA) where: Base-Base interactions energy: -1308.257 where: short stacking energy: -569.269 Base-Backbone interact. energy: 0.938 local terms energy: -509.116502 where: bonds (distance) C4'-P energy: -80.724 bonds (distance) P-C4' energy: -94.068 flat angles C4'-P-C4' energy: -122.417 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -151.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -823.444870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.444870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.444870 (E_RNA) where: Base-Base interactions energy: -467.409 where: short stacking energy: -216.923 Base-Backbone interact. energy: -3.719 local terms energy: -352.316814 where: bonds (distance) C4'-P energy: -104.428 bonds (distance) P-C4' energy: -115.047 flat angles C4'-P-C4' energy: -93.446 flat angles P-C4'-P energy: -43.581 tors. eta vs tors. theta energy: 4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2662.021157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.021157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.021157 (E_RNA) where: Base-Base interactions energy: -1892.855 where: short stacking energy: -760.676 Base-Backbone interact. energy: -2.574 local terms energy: -766.592936 where: bonds (distance) C4'-P energy: -134.741 bonds (distance) P-C4' energy: -136.064 flat angles C4'-P-C4' energy: -153.927 flat angles P-C4'-P energy: -113.831 tors. eta vs tors. theta energy: -228.031 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: 287 Temperature: 0.950000 Total energy: -2620.934321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.934321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.934321 (E_RNA) where: Base-Base interactions energy: -1847.163 where: short stacking energy: -766.364 Base-Backbone interact. energy: -0.737 local terms energy: -773.033693 where: bonds (distance) C4'-P energy: -127.666 bonds (distance) P-C4' energy: -134.780 flat angles C4'-P-C4' energy: -158.810 flat angles P-C4'-P energy: -110.521 tors. eta vs tors. theta energy: -241.257 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: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2524.431645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.431645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.431645 (E_RNA) where: Base-Base interactions energy: -1781.436 where: short stacking energy: -744.186 Base-Backbone interact. energy: -3.830 local terms energy: -739.166139 where: bonds (distance) C4'-P energy: -123.917 bonds (distance) P-C4' energy: -129.475 flat angles C4'-P-C4' energy: -148.601 flat angles P-C4'-P energy: -104.820 tors. eta vs tors. theta energy: -232.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2454.967437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.967437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.967437 (E_RNA) where: Base-Base interactions energy: -1722.454 where: short stacking energy: -725.976 Base-Backbone interact. energy: 0.911 local terms energy: -733.424853 where: bonds (distance) C4'-P energy: -112.697 bonds (distance) P-C4' energy: -138.266 flat angles C4'-P-C4' energy: -157.847 flat angles P-C4'-P energy: -102.113 tors. eta vs tors. theta energy: -222.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2362.537433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.537433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.537433 (E_RNA) where: Base-Base interactions energy: -1653.895 where: short stacking energy: -665.273 Base-Backbone interact. energy: 2.046 local terms energy: -710.688563 where: bonds (distance) C4'-P energy: -120.884 bonds (distance) P-C4' energy: -135.640 flat angles C4'-P-C4' energy: -149.896 flat angles P-C4'-P energy: -100.173 tors. eta vs tors. theta energy: -204.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2365.496927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.496927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.496927 (E_RNA) where: Base-Base interactions energy: -1674.224 where: short stacking energy: -691.545 Base-Backbone interact. energy: -1.969 local terms energy: -689.304661 where: bonds (distance) C4'-P energy: -121.284 bonds (distance) P-C4' energy: -115.142 flat angles C4'-P-C4' energy: -138.459 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -216.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2188.659927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.659927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.659927 (E_RNA) where: Base-Base interactions energy: -1547.073 where: short stacking energy: -595.737 Base-Backbone interact. energy: -1.798 local terms energy: -639.788575 where: bonds (distance) C4'-P energy: -112.190 bonds (distance) P-C4' energy: -117.860 flat angles C4'-P-C4' energy: -136.723 flat angles P-C4'-P energy: -83.114 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: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -2098.193902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.193902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.193902 (E_RNA) where: Base-Base interactions energy: -1501.419 where: short stacking energy: -606.778 Base-Backbone interact. energy: 2.503 local terms energy: -599.277364 where: bonds (distance) C4'-P energy: -108.965 bonds (distance) P-C4' energy: -97.087 flat angles C4'-P-C4' energy: -123.252 flat angles P-C4'-P energy: -88.287 tors. eta vs tors. theta energy: -181.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1917.779253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.779253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.779253 (E_RNA) where: Base-Base interactions energy: -1330.308 where: short stacking energy: -560.787 Base-Backbone interact. energy: -0.631 local terms energy: -586.840341 where: bonds (distance) C4'-P energy: -102.374 bonds (distance) P-C4' energy: -108.524 flat angles C4'-P-C4' energy: -125.847 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: -166.891 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: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -805.252713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.252713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.252713 (E_RNA) where: Base-Base interactions energy: -463.062 where: short stacking energy: -230.480 Base-Backbone interact. energy: 1.352 local terms energy: -343.542985 where: bonds (distance) C4'-P energy: -100.277 bonds (distance) P-C4' energy: -86.219 flat angles C4'-P-C4' energy: -82.800 flat angles P-C4'-P energy: -60.941 tors. eta vs tors. theta energy: -13.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2666.200241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.200241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.200241 (E_RNA) where: Base-Base interactions energy: -1907.668 where: short stacking energy: -773.727 Base-Backbone interact. energy: -3.201 local terms energy: -755.331013 where: bonds (distance) C4'-P energy: -134.408 bonds (distance) P-C4' energy: -131.290 flat angles C4'-P-C4' energy: -155.433 flat angles P-C4'-P energy: -95.662 tors. eta vs tors. theta energy: -238.539 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: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2629.153376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.153376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.153376 (E_RNA) where: Base-Base interactions energy: -1874.847 where: short stacking energy: -765.904 Base-Backbone interact. energy: -3.551 local terms energy: -750.756093 where: bonds (distance) C4'-P energy: -104.582 bonds (distance) P-C4' energy: -140.722 flat angles C4'-P-C4' energy: -162.091 flat angles P-C4'-P energy: -108.594 tors. eta vs tors. theta energy: -234.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2539.591320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.591320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.591320 (E_RNA) where: Base-Base interactions energy: -1771.317 where: short stacking energy: -738.772 Base-Backbone interact. energy: -0.428 local terms energy: -767.846623 where: bonds (distance) C4'-P energy: -132.035 bonds (distance) P-C4' energy: -134.997 flat angles C4'-P-C4' energy: -149.957 flat angles P-C4'-P energy: -106.974 tors. eta vs tors. theta energy: -243.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2459.272851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.272851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.272851 (E_RNA) where: Base-Base interactions energy: -1741.767 where: short stacking energy: -722.070 Base-Backbone interact. energy: -2.990 local terms energy: -714.516394 where: bonds (distance) C4'-P energy: -122.878 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -145.223 flat angles P-C4'-P energy: -101.470 tors. eta vs tors. theta energy: -222.003 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: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2405.029898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.029898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.029898 (E_RNA) where: Base-Base interactions energy: -1679.967 where: short stacking energy: -700.421 Base-Backbone interact. energy: -1.567 local terms energy: -723.496828 where: bonds (distance) C4'-P energy: -128.018 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -151.017 flat angles P-C4'-P energy: -89.457 tors. eta vs tors. theta energy: -228.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2298.372272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.372272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.372272 (E_RNA) where: Base-Base interactions energy: -1642.939 where: short stacking energy: -673.301 Base-Backbone interact. energy: -0.451 local terms energy: -654.982596 where: bonds (distance) C4'-P energy: -117.807 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -133.696 flat angles P-C4'-P energy: -85.696 tors. eta vs tors. theta energy: -202.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2226.569651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.569651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.569651 (E_RNA) where: Base-Base interactions energy: -1608.739 where: short stacking energy: -634.182 Base-Backbone interact. energy: -2.506 local terms energy: -615.323858 where: bonds (distance) C4'-P energy: -90.491 bonds (distance) P-C4' energy: -114.519 flat angles C4'-P-C4' energy: -137.840 flat angles P-C4'-P energy: -94.306 tors. eta vs tors. theta energy: -178.168 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: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -2054.851239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.851239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.851239 (E_RNA) where: Base-Base interactions energy: -1433.705 where: short stacking energy: -581.357 Base-Backbone interact. energy: 1.372 local terms energy: -622.518459 where: bonds (distance) C4'-P energy: -95.495 bonds (distance) P-C4' energy: -115.260 flat angles C4'-P-C4' energy: -151.679 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -170.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1874.798332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.798332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.798332 (E_RNA) where: Base-Base interactions energy: -1301.558 where: short stacking energy: -543.727 Base-Backbone interact. energy: -2.520 local terms energy: -570.721088 where: bonds (distance) C4'-P energy: -108.765 bonds (distance) P-C4' energy: -111.989 flat angles C4'-P-C4' energy: -129.144 flat angles P-C4'-P energy: -69.617 tors. eta vs tors. theta energy: -151.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -790.930104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.930104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.930104 (E_RNA) where: Base-Base interactions energy: -420.857 where: short stacking energy: -218.658 Base-Backbone interact. energy: -4.192 local terms energy: -365.880769 where: bonds (distance) C4'-P energy: -97.167 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -51.933 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2654.290723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.290723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.290723 (E_RNA) where: Base-Base interactions energy: -1886.777 where: short stacking energy: -777.745 Base-Backbone interact. energy: 1.004 local terms energy: -768.517977 where: bonds (distance) C4'-P energy: -133.240 bonds (distance) P-C4' energy: -136.353 flat angles C4'-P-C4' energy: -157.359 flat angles P-C4'-P energy: -100.827 tors. eta vs tors. theta energy: -240.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2660.040138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.040138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.040138 (E_RNA) where: Base-Base interactions energy: -1903.854 where: short stacking energy: -774.862 Base-Backbone interact. energy: -1.460 local terms energy: -754.726024 where: bonds (distance) C4'-P energy: -121.480 bonds (distance) P-C4' energy: -138.342 flat angles C4'-P-C4' energy: -163.647 flat angles P-C4'-P energy: -97.193 tors. eta vs tors. theta energy: -234.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2546.283386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.283386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.283386 (E_RNA) where: Base-Base interactions energy: -1808.124 where: short stacking energy: -745.534 Base-Backbone interact. energy: -1.886 local terms energy: -736.273064 where: bonds (distance) C4'-P energy: -121.744 bonds (distance) P-C4' energy: -134.832 flat angles C4'-P-C4' energy: -148.439 flat angles P-C4'-P energy: -104.480 tors. eta vs tors. theta energy: -226.777 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: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2456.595257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.595257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.595257 (E_RNA) where: Base-Base interactions energy: -1764.695 where: short stacking energy: -703.106 Base-Backbone interact. energy: 0.297 local terms energy: -692.197804 where: bonds (distance) C4'-P energy: -103.561 bonds (distance) P-C4' energy: -109.221 flat angles C4'-P-C4' energy: -159.637 flat angles P-C4'-P energy: -97.611 tors. eta vs tors. theta energy: -222.168 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: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2393.933636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.933636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.933636 (E_RNA) where: Base-Base interactions energy: -1710.352 where: short stacking energy: -720.866 Base-Backbone interact. energy: -1.420 local terms energy: -682.161897 where: bonds (distance) C4'-P energy: -113.762 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -145.971 flat angles P-C4'-P energy: -96.422 tors. eta vs tors. theta energy: -220.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2234.934257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.934257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.934257 (E_RNA) where: Base-Base interactions energy: -1580.363 where: short stacking energy: -644.208 Base-Backbone interact. energy: 0.918 local terms energy: -655.488752 where: bonds (distance) C4'-P energy: -126.251 bonds (distance) P-C4' energy: -106.163 flat angles C4'-P-C4' energy: -133.965 flat angles P-C4'-P energy: -93.939 tors. eta vs tors. theta energy: -195.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2227.880665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.880665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.880665 (E_RNA) where: Base-Base interactions energy: -1580.147 where: short stacking energy: -632.968 Base-Backbone interact. energy: -1.603 local terms energy: -646.130543 where: bonds (distance) C4'-P energy: -119.146 bonds (distance) P-C4' energy: -118.817 flat angles C4'-P-C4' energy: -141.498 flat angles P-C4'-P energy: -83.371 tors. eta vs tors. theta energy: -183.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -2122.946731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.946731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.946731 (E_RNA) where: Base-Base interactions energy: -1495.141 where: short stacking energy: -604.601 Base-Backbone interact. energy: -3.003 local terms energy: -624.802579 where: bonds (distance) C4'-P energy: -104.904 bonds (distance) P-C4' energy: -103.754 flat angles C4'-P-C4' energy: -148.491 flat angles P-C4'-P energy: -77.149 tors. eta vs tors. theta energy: -190.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1931.004737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.004737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.004737 (E_RNA) where: Base-Base interactions energy: -1325.734 where: short stacking energy: -564.944 Base-Backbone interact. energy: 2.044 local terms energy: -607.314576 where: bonds (distance) C4'-P energy: -126.083 bonds (distance) P-C4' energy: -99.295 flat angles C4'-P-C4' energy: -134.110 flat angles P-C4'-P energy: -84.373 tors. eta vs tors. theta energy: -163.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -716.117633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.117633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.117633 (E_RNA) where: Base-Base interactions energy: -356.937 where: short stacking energy: -227.087 Base-Backbone interact. energy: -3.884 local terms energy: -355.296247 where: bonds (distance) C4'-P energy: -104.653 bonds (distance) P-C4' energy: -98.984 flat angles C4'-P-C4' energy: -94.028 flat angles P-C4'-P energy: -54.011 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2669.034168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.034168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.034168 (E_RNA) where: Base-Base interactions energy: -1891.182 where: short stacking energy: -784.924 Base-Backbone interact. energy: -2.480 local terms energy: -775.371837 where: bonds (distance) C4'-P energy: -125.903 bonds (distance) P-C4' energy: -137.643 flat angles C4'-P-C4' energy: -160.714 flat angles P-C4'-P energy: -111.718 tors. eta vs tors. theta energy: -239.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2639.060291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.060291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.060291 (E_RNA) where: Base-Base interactions energy: -1892.048 where: short stacking energy: -753.693 Base-Backbone interact. energy: -1.492 local terms energy: -745.520557 where: bonds (distance) C4'-P energy: -120.244 bonds (distance) P-C4' energy: -130.651 flat angles C4'-P-C4' energy: -154.947 flat angles P-C4'-P energy: -106.409 tors. eta vs tors. theta energy: -233.270 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: 3, replica: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2544.017528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.017528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.017528 (E_RNA) where: Base-Base interactions energy: -1813.371 where: short stacking energy: -734.708 Base-Backbone interact. energy: -1.115 local terms energy: -729.531326 where: bonds (distance) C4'-P energy: -131.154 bonds (distance) P-C4' energy: -110.258 flat angles C4'-P-C4' energy: -154.053 flat angles P-C4'-P energy: -104.842 tors. eta vs tors. theta energy: -229.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2459.848105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.848105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.848105 (E_RNA) where: Base-Base interactions energy: -1763.590 where: short stacking energy: -710.755 Base-Backbone interact. energy: 0.418 local terms energy: -696.675906 where: bonds (distance) C4'-P energy: -123.796 bonds (distance) P-C4' energy: -111.993 flat angles C4'-P-C4' energy: -142.329 flat angles P-C4'-P energy: -103.528 tors. eta vs tors. theta energy: -215.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2377.298251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.298251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.298251 (E_RNA) where: Base-Base interactions energy: -1661.968 where: short stacking energy: -692.524 Base-Backbone interact. energy: -2.557 local terms energy: -712.772573 where: bonds (distance) C4'-P energy: -116.840 bonds (distance) P-C4' energy: -128.734 flat angles C4'-P-C4' energy: -154.782 flat angles P-C4'-P energy: -100.318 tors. eta vs tors. theta energy: -212.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2220.496916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.496916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.496916 (E_RNA) where: Base-Base interactions energy: -1560.829 where: short stacking energy: -651.836 Base-Backbone interact. energy: -0.561 local terms energy: -659.107026 where: bonds (distance) C4'-P energy: -128.070 bonds (distance) P-C4' energy: -113.407 flat angles C4'-P-C4' energy: -142.126 flat angles P-C4'-P energy: -86.508 tors. eta vs tors. theta energy: -188.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2197.983335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.983335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.983335 (E_RNA) where: Base-Base interactions energy: -1565.817 where: short stacking energy: -626.159 Base-Backbone interact. energy: -2.542 local terms energy: -629.624406 where: bonds (distance) C4'-P energy: -99.453 bonds (distance) P-C4' energy: -118.013 flat angles C4'-P-C4' energy: -137.688 flat angles P-C4'-P energy: -94.909 tors. eta vs tors. theta energy: -179.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -2095.451009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.451009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.451009 (E_RNA) where: Base-Base interactions energy: -1506.900 where: short stacking energy: -611.376 Base-Backbone interact. energy: 3.381 local terms energy: -591.931988 where: bonds (distance) C4'-P energy: -100.302 bonds (distance) P-C4' energy: -105.747 flat angles C4'-P-C4' energy: -143.810 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: -169.384 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: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1868.694905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.694905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.694905 (E_RNA) where: Base-Base interactions energy: -1322.600 where: short stacking energy: -531.770 Base-Backbone interact. energy: -0.744 local terms energy: -545.351144 where: bonds (distance) C4'-P energy: -96.277 bonds (distance) P-C4' energy: -93.628 flat angles C4'-P-C4' energy: -139.170 flat angles P-C4'-P energy: -66.398 tors. eta vs tors. theta energy: -149.877 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: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -787.119592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.119592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.119592 (E_RNA) where: Base-Base interactions energy: -416.650 where: short stacking energy: -229.958 Base-Backbone interact. energy: 0.804 local terms energy: -371.273777 where: bonds (distance) C4'-P energy: -100.073 bonds (distance) P-C4' energy: -108.734 flat angles C4'-P-C4' energy: -94.156 flat angles P-C4'-P energy: -60.580 tors. eta vs tors. theta energy: -7.730 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: 1, replica: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2667.393997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.393997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.393997 (E_RNA) where: Base-Base interactions energy: -1877.248 where: short stacking energy: -785.004 Base-Backbone interact. energy: 0.030 local terms energy: -790.175811 where: bonds (distance) C4'-P energy: -136.550 bonds (distance) P-C4' energy: -139.137 flat angles C4'-P-C4' energy: -164.681 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -234.762 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: 9 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2622.035569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.035569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.035569 (E_RNA) where: Base-Base interactions energy: -1890.536 where: short stacking energy: -761.075 Base-Backbone interact. energy: 4.446 local terms energy: -735.945088 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -126.821 flat angles C4'-P-C4' energy: -153.965 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -235.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2533.568381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.568381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.568381 (E_RNA) where: Base-Base interactions energy: -1800.068 where: short stacking energy: -749.991 Base-Backbone interact. energy: -1.707 local terms energy: -731.792996 where: bonds (distance) C4'-P energy: -120.145 bonds (distance) P-C4' energy: -118.909 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -103.374 tors. eta vs tors. theta energy: -236.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2461.826837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.826837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.826837 (E_RNA) where: Base-Base interactions energy: -1767.935 where: short stacking energy: -736.763 Base-Backbone interact. energy: 1.382 local terms energy: -695.273998 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -129.736 flat angles C4'-P-C4' energy: -145.651 flat angles P-C4'-P energy: -74.588 tors. eta vs tors. theta energy: -222.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2410.398370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.398370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.398370 (E_RNA) where: Base-Base interactions energy: -1728.715 where: short stacking energy: -711.805 Base-Backbone interact. energy: -0.909 local terms energy: -680.774148 where: bonds (distance) C4'-P energy: -96.758 bonds (distance) P-C4' energy: -121.665 flat angles C4'-P-C4' energy: -152.012 flat angles P-C4'-P energy: -93.549 tors. eta vs tors. theta energy: -216.791 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: 291 Temperature: 1.150000 Total energy: -2320.059155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.059155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.059155 (E_RNA) where: Base-Base interactions energy: -1670.907 where: short stacking energy: -672.787 Base-Backbone interact. energy: -1.548 local terms energy: -647.604101 where: bonds (distance) C4'-P energy: -111.159 bonds (distance) P-C4' energy: -102.169 flat angles C4'-P-C4' energy: -137.276 flat angles P-C4'-P energy: -94.900 tors. eta vs tors. theta energy: -202.099 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: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2166.415162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.415162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.415162 (E_RNA) where: Base-Base interactions energy: -1543.076 where: short stacking energy: -633.569 Base-Backbone interact. energy: 2.697 local terms energy: -626.035784 where: bonds (distance) C4'-P energy: -91.832 bonds (distance) P-C4' energy: -102.319 flat angles C4'-P-C4' energy: -141.339 flat angles P-C4'-P energy: -95.745 tors. eta vs tors. theta energy: -194.802 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: 291 Temperature: 1.250000 Total energy: -2103.019071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.019071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.019071 (E_RNA) where: Base-Base interactions energy: -1466.746 where: short stacking energy: -600.644 Base-Backbone interact. energy: 0.473 local terms energy: -636.746021 where: bonds (distance) C4'-P energy: -117.430 bonds (distance) P-C4' energy: -108.894 flat angles C4'-P-C4' energy: -128.746 flat angles P-C4'-P energy: -92.786 tors. eta vs tors. theta energy: -188.890 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: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -2017.065538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.065538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.065538 (E_RNA) where: Base-Base interactions energy: -1428.661 where: short stacking energy: -575.104 Base-Backbone interact. energy: 0.149 local terms energy: -588.553520 where: bonds (distance) C4'-P energy: -92.199 bonds (distance) P-C4' energy: -115.159 flat angles C4'-P-C4' energy: -119.272 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -165.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -757.806948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.806948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.806948 (E_RNA) where: Base-Base interactions energy: -408.288 where: short stacking energy: -217.248 Base-Backbone interact. energy: -0.161 local terms energy: -349.357205 where: bonds (distance) C4'-P energy: -111.692 bonds (distance) P-C4' energy: -85.376 flat angles C4'-P-C4' energy: -104.906 flat angles P-C4'-P energy: -35.722 tors. eta vs tors. theta energy: -11.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2669.047763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.047763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.047763 (E_RNA) where: Base-Base interactions energy: -1908.002 where: short stacking energy: -780.865 Base-Backbone interact. energy: -0.208 local terms energy: -760.838545 where: bonds (distance) C4'-P energy: -118.242 bonds (distance) P-C4' energy: -137.879 flat angles C4'-P-C4' energy: -163.882 flat angles P-C4'-P energy: -105.278 tors. eta vs tors. theta energy: -235.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2598.236527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.236527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.236527 (E_RNA) where: Base-Base interactions energy: -1841.263 where: short stacking energy: -735.421 Base-Backbone interact. energy: -3.360 local terms energy: -753.613132 where: bonds (distance) C4'-P energy: -133.283 bonds (distance) P-C4' energy: -136.994 flat angles C4'-P-C4' energy: -150.771 flat angles P-C4'-P energy: -105.801 tors. eta vs tors. theta energy: -226.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2528.124092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.124092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.124092 (E_RNA) where: Base-Base interactions energy: -1764.527 where: short stacking energy: -728.465 Base-Backbone interact. energy: -2.662 local terms energy: -760.934332 where: bonds (distance) C4'-P energy: -134.726 bonds (distance) P-C4' energy: -127.467 flat angles C4'-P-C4' energy: -153.970 flat angles P-C4'-P energy: -109.311 tors. eta vs tors. theta energy: -235.460 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: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2488.261463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.261463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.261463 (E_RNA) where: Base-Base interactions energy: -1754.811 where: short stacking energy: -748.076 Base-Backbone interact. energy: -2.077 local terms energy: -731.373193 where: bonds (distance) C4'-P energy: -121.574 bonds (distance) P-C4' energy: -132.844 flat angles C4'-P-C4' energy: -142.389 flat angles P-C4'-P energy: -100.864 tors. eta vs tors. theta energy: -233.702 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: 292 Temperature: 1.100000 Total energy: -2405.880617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.880617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.880617 (E_RNA) where: Base-Base interactions energy: -1710.445 where: short stacking energy: -704.713 Base-Backbone interact. energy: -0.854 local terms energy: -694.581594 where: bonds (distance) C4'-P energy: -129.932 bonds (distance) P-C4' energy: -111.867 flat angles C4'-P-C4' energy: -140.858 flat angles P-C4'-P energy: -94.166 tors. eta vs tors. theta energy: -217.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2288.927921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.927921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.927921 (E_RNA) where: Base-Base interactions energy: -1634.853 where: short stacking energy: -664.328 Base-Backbone interact. energy: -0.866 local terms energy: -653.209050 where: bonds (distance) C4'-P energy: -113.191 bonds (distance) P-C4' energy: -129.359 flat angles C4'-P-C4' energy: -133.945 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: -193.076 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: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2192.157982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.157982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.157982 (E_RNA) where: Base-Base interactions energy: -1567.597 where: short stacking energy: -627.956 Base-Backbone interact. energy: -1.414 local terms energy: -623.146848 where: bonds (distance) C4'-P energy: -106.484 bonds (distance) P-C4' energy: -123.084 flat angles C4'-P-C4' energy: -128.841 flat angles P-C4'-P energy: -82.432 tors. eta vs tors. theta energy: -182.306 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: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -2074.503580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.503580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.503580 (E_RNA) where: Base-Base interactions energy: -1481.420 where: short stacking energy: -605.542 Base-Backbone interact. energy: -3.041 local terms energy: -590.042326 where: bonds (distance) C4'-P energy: -95.922 bonds (distance) P-C4' energy: -97.860 flat angles C4'-P-C4' energy: -122.293 flat angles P-C4'-P energy: -92.241 tors. eta vs tors. theta energy: -181.727 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: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1933.380940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.380940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.380940 (E_RNA) where: Base-Base interactions energy: -1365.445 where: short stacking energy: -558.207 Base-Backbone interact. energy: -1.792 local terms energy: -566.143835 where: bonds (distance) C4'-P energy: -99.980 bonds (distance) P-C4' energy: -100.105 flat angles C4'-P-C4' energy: -122.890 flat angles P-C4'-P energy: -88.048 tors. eta vs tors. theta energy: -155.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -739.108251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.108251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.108251 (E_RNA) where: Base-Base interactions energy: -364.147 where: short stacking energy: -216.060 Base-Backbone interact. energy: -0.072 local terms energy: -374.890097 where: bonds (distance) C4'-P energy: -107.379 bonds (distance) P-C4' energy: -105.599 flat angles C4'-P-C4' energy: -104.871 flat angles P-C4'-P energy: -54.194 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2704.076778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.076778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.076778 (E_RNA) where: Base-Base interactions energy: -1929.560 where: short stacking energy: -777.717 Base-Backbone interact. energy: -1.255 local terms energy: -773.261789 where: bonds (distance) C4'-P energy: -132.676 bonds (distance) P-C4' energy: -149.593 flat angles C4'-P-C4' energy: -150.355 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -238.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2578.847869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.847869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.847869 (E_RNA) where: Base-Base interactions energy: -1818.066 where: short stacking energy: -760.454 Base-Backbone interact. energy: 0.006 local terms energy: -760.787999 where: bonds (distance) C4'-P energy: -125.867 bonds (distance) P-C4' energy: -131.842 flat angles C4'-P-C4' energy: -157.521 flat angles P-C4'-P energy: -113.501 tors. eta vs tors. theta energy: -232.058 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: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2552.115222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.115222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.115222 (E_RNA) where: Base-Base interactions energy: -1822.355 where: short stacking energy: -732.010 Base-Backbone interact. energy: -1.892 local terms energy: -727.867795 where: bonds (distance) C4'-P energy: -125.549 bonds (distance) P-C4' energy: -126.670 flat angles C4'-P-C4' energy: -140.008 flat angles P-C4'-P energy: -111.984 tors. eta vs tors. theta energy: -223.657 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: 293 Temperature: 1.050000 Total energy: -2496.138128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.138128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.138128 (E_RNA) where: Base-Base interactions energy: -1768.200 where: short stacking energy: -728.416 Base-Backbone interact. energy: -2.201 local terms energy: -725.736571 where: bonds (distance) C4'-P energy: -119.904 bonds (distance) P-C4' energy: -117.338 flat angles C4'-P-C4' energy: -150.372 flat angles P-C4'-P energy: -107.989 tors. eta vs tors. theta energy: -230.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2422.141382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.141382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.141382 (E_RNA) where: Base-Base interactions energy: -1711.252 where: short stacking energy: -709.227 Base-Backbone interact. energy: -0.734 local terms energy: -710.155951 where: bonds (distance) C4'-P energy: -119.569 bonds (distance) P-C4' energy: -131.339 flat angles C4'-P-C4' energy: -155.881 flat angles P-C4'-P energy: -88.326 tors. eta vs tors. theta energy: -215.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2326.543707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.543707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.543707 (E_RNA) where: Base-Base interactions energy: -1659.229 where: short stacking energy: -673.028 Base-Backbone interact. energy: -3.100 local terms energy: -664.214768 where: bonds (distance) C4'-P energy: -109.603 bonds (distance) P-C4' energy: -114.804 flat angles C4'-P-C4' energy: -140.529 flat angles P-C4'-P energy: -93.405 tors. eta vs tors. theta energy: -205.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2152.654933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.654933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.654933 (E_RNA) where: Base-Base interactions energy: -1548.230 where: short stacking energy: -610.175 Base-Backbone interact. energy: -1.490 local terms energy: -602.935247 where: bonds (distance) C4'-P energy: -87.851 bonds (distance) P-C4' energy: -98.613 flat angles C4'-P-C4' energy: -139.412 flat angles P-C4'-P energy: -95.428 tors. eta vs tors. theta energy: -181.632 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -2052.110994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.110994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.110994 (E_RNA) where: Base-Base interactions energy: -1455.429 where: short stacking energy: -593.936 Base-Backbone interact. energy: -1.978 local terms energy: -594.704098 where: bonds (distance) C4'-P energy: -105.044 bonds (distance) P-C4' energy: -115.098 flat angles C4'-P-C4' energy: -125.900 flat angles P-C4'-P energy: -79.367 tors. eta vs tors. theta energy: -169.294 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: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1909.267010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.267010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.267010 (E_RNA) where: Base-Base interactions energy: -1314.305 where: short stacking energy: -539.403 Base-Backbone interact. energy: -1.886 local terms energy: -593.075675 where: bonds (distance) C4'-P energy: -116.888 bonds (distance) P-C4' energy: -123.129 flat angles C4'-P-C4' energy: -129.087 flat angles P-C4'-P energy: -77.946 tors. eta vs tors. theta energy: -146.025 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: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -729.898772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.898772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.898772 (E_RNA) where: Base-Base interactions energy: -385.185 where: short stacking energy: -208.268 Base-Backbone interact. energy: 1.198 local terms energy: -345.912169 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -130.038 flat angles C4'-P-C4' energy: -79.632 flat angles P-C4'-P energy: -46.011 tors. eta vs tors. theta energy: 6.021 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: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2680.082981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.082981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.082981 (E_RNA) where: Base-Base interactions energy: -1908.874 where: short stacking energy: -755.990 Base-Backbone interact. energy: -2.099 local terms energy: -769.110394 where: bonds (distance) C4'-P energy: -133.420 bonds (distance) P-C4' energy: -126.520 flat angles C4'-P-C4' energy: -156.724 flat angles P-C4'-P energy: -109.978 tors. eta vs tors. theta energy: -242.468 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: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2569.590735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.590735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.590735 (E_RNA) where: Base-Base interactions energy: -1807.790 where: short stacking energy: -764.956 Base-Backbone interact. energy: 0.175 local terms energy: -761.975907 where: bonds (distance) C4'-P energy: -133.816 bonds (distance) P-C4' energy: -121.722 flat angles C4'-P-C4' energy: -160.004 flat angles P-C4'-P energy: -113.870 tors. eta vs tors. theta energy: -232.564 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: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2575.685732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.685732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.685732 (E_RNA) where: Base-Base interactions energy: -1855.721 where: short stacking energy: -754.447 Base-Backbone interact. energy: 4.641 local terms energy: -724.606288 where: bonds (distance) C4'-P energy: -131.389 bonds (distance) P-C4' energy: -126.947 flat angles C4'-P-C4' energy: -145.359 flat angles P-C4'-P energy: -99.697 tors. eta vs tors. theta energy: -221.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2441.093070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.093070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.093070 (E_RNA) where: Base-Base interactions energy: -1710.572 where: short stacking energy: -717.438 Base-Backbone interact. energy: -1.705 local terms energy: -728.815741 where: bonds (distance) C4'-P energy: -117.187 bonds (distance) P-C4' energy: -124.914 flat angles C4'-P-C4' energy: -147.075 flat angles P-C4'-P energy: -109.739 tors. eta vs tors. theta energy: -229.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2402.215433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.215433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.215433 (E_RNA) where: Base-Base interactions energy: -1682.303 where: short stacking energy: -666.724 Base-Backbone interact. energy: -2.120 local terms energy: -717.792215 where: bonds (distance) C4'-P energy: -138.607 bonds (distance) P-C4' energy: -129.474 flat angles C4'-P-C4' energy: -144.509 flat angles P-C4'-P energy: -86.436 tors. eta vs tors. theta energy: -218.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2274.256436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.256436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.256436 (E_RNA) where: Base-Base interactions energy: -1605.887 where: short stacking energy: -645.372 Base-Backbone interact. energy: -1.633 local terms energy: -666.735531 where: bonds (distance) C4'-P energy: -109.184 bonds (distance) P-C4' energy: -131.793 flat angles C4'-P-C4' energy: -136.717 flat angles P-C4'-P energy: -95.687 tors. eta vs tors. theta energy: -193.354 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: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2203.330133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.330133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.330133 (E_RNA) where: Base-Base interactions energy: -1558.954 where: short stacking energy: -641.882 Base-Backbone interact. energy: 0.250 local terms energy: -644.626462 where: bonds (distance) C4'-P energy: -111.796 bonds (distance) P-C4' energy: -106.440 flat angles C4'-P-C4' energy: -145.804 flat angles P-C4'-P energy: -86.472 tors. eta vs tors. theta energy: -194.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -2019.579994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.579994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.579994 (E_RNA) where: Base-Base interactions energy: -1405.546 where: short stacking energy: -581.896 Base-Backbone interact. energy: -1.743 local terms energy: -612.291307 where: bonds (distance) C4'-P energy: -114.171 bonds (distance) P-C4' energy: -113.959 flat angles C4'-P-C4' energy: -126.642 flat angles P-C4'-P energy: -75.049 tors. eta vs tors. theta energy: -182.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1872.754810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.754810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.754810 (E_RNA) where: Base-Base interactions energy: -1316.813 where: short stacking energy: -538.880 Base-Backbone interact. energy: -3.173 local terms energy: -552.768588 where: bonds (distance) C4'-P energy: -99.733 bonds (distance) P-C4' energy: -102.153 flat angles C4'-P-C4' energy: -118.124 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -152.959 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: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -808.836367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.836367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.836367 (E_RNA) where: Base-Base interactions energy: -443.512 where: short stacking energy: -238.338 Base-Backbone interact. energy: 6.659 local terms energy: -371.983210 where: bonds (distance) C4'-P energy: -106.020 bonds (distance) P-C4' energy: -93.913 flat angles C4'-P-C4' energy: -106.202 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -12.766 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: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2692.859239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.859239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.859239 (E_RNA) where: Base-Base interactions energy: -1909.304 where: short stacking energy: -785.863 Base-Backbone interact. energy: -2.833 local terms energy: -780.722488 where: bonds (distance) C4'-P energy: -141.850 bonds (distance) P-C4' energy: -140.632 flat angles C4'-P-C4' energy: -152.743 flat angles P-C4'-P energy: -103.531 tors. eta vs tors. theta energy: -241.966 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: 295 Temperature: 0.950000 Total energy: -2631.586861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.586861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.586861 (E_RNA) where: Base-Base interactions energy: -1886.038 where: short stacking energy: -770.973 Base-Backbone interact. energy: 0.536 local terms energy: -746.085290 where: bonds (distance) C4'-P energy: -130.657 bonds (distance) P-C4' energy: -120.213 flat angles C4'-P-C4' energy: -152.943 flat angles P-C4'-P energy: -111.732 tors. eta vs tors. theta energy: -230.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2558.538309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.538309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.538309 (E_RNA) where: Base-Base interactions energy: -1822.660 where: short stacking energy: -763.634 Base-Backbone interact. energy: -1.740 local terms energy: -734.138291 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -126.365 flat angles C4'-P-C4' energy: -144.959 flat angles P-C4'-P energy: -113.322 tors. eta vs tors. theta energy: -226.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2433.263735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.263735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.263735 (E_RNA) where: Base-Base interactions energy: -1729.847 where: short stacking energy: -725.007 Base-Backbone interact. energy: -2.521 local terms energy: -700.895424 where: bonds (distance) C4'-P energy: -106.615 bonds (distance) P-C4' energy: -112.721 flat angles C4'-P-C4' energy: -152.373 flat angles P-C4'-P energy: -103.303 tors. eta vs tors. theta energy: -225.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2366.195977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.195977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.195977 (E_RNA) where: Base-Base interactions energy: -1676.791 where: short stacking energy: -691.544 Base-Backbone interact. energy: 0.445 local terms energy: -689.849311 where: bonds (distance) C4'-P energy: -114.493 bonds (distance) P-C4' energy: -116.434 flat angles C4'-P-C4' energy: -148.071 flat angles P-C4'-P energy: -105.347 tors. eta vs tors. theta energy: -205.505 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: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2250.816009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.816009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.816009 (E_RNA) where: Base-Base interactions energy: -1600.006 where: short stacking energy: -674.537 Base-Backbone interact. energy: 0.638 local terms energy: -651.447348 where: bonds (distance) C4'-P energy: -108.918 bonds (distance) P-C4' energy: -113.182 flat angles C4'-P-C4' energy: -135.189 flat angles P-C4'-P energy: -99.451 tors. eta vs tors. theta energy: -194.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2200.916862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.916862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.916862 (E_RNA) where: Base-Base interactions energy: -1567.552 where: short stacking energy: -634.114 Base-Backbone interact. energy: -1.867 local terms energy: -631.497669 where: bonds (distance) C4'-P energy: -119.791 bonds (distance) P-C4' energy: -108.879 flat angles C4'-P-C4' energy: -132.995 flat angles P-C4'-P energy: -87.972 tors. eta vs tors. theta energy: -181.860 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: 295 Temperature: 1.250000 Total energy: -2053.673668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.673668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.673668 (E_RNA) where: Base-Base interactions energy: -1435.722 where: short stacking energy: -578.838 Base-Backbone interact. energy: -1.081 local terms energy: -616.870811 where: bonds (distance) C4'-P energy: -102.394 bonds (distance) P-C4' energy: -105.489 flat angles C4'-P-C4' energy: -143.381 flat angles P-C4'-P energy: -90.502 tors. eta vs tors. theta energy: -175.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1961.219682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.219682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.219682 (E_RNA) where: Base-Base interactions energy: -1405.688 where: short stacking energy: -557.560 Base-Backbone interact. energy: -0.823 local terms energy: -554.709083 where: bonds (distance) C4'-P energy: -110.545 bonds (distance) P-C4' energy: -87.324 flat angles C4'-P-C4' energy: -111.495 flat angles P-C4'-P energy: -80.820 tors. eta vs tors. theta energy: -164.525 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: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -742.149837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.149837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.149837 (E_RNA) where: Base-Base interactions energy: -418.531 where: short stacking energy: -218.680 Base-Backbone interact. energy: 0.308 local terms energy: -323.926567 where: bonds (distance) C4'-P energy: -93.790 bonds (distance) P-C4' energy: -89.199 flat angles C4'-P-C4' energy: -101.268 flat angles P-C4'-P energy: -31.599 tors. eta vs tors. theta energy: -8.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2701.687798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.687798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.687798 (E_RNA) where: Base-Base interactions energy: -1925.320 where: short stacking energy: -768.833 Base-Backbone interact. energy: -1.543 local terms energy: -774.825514 where: bonds (distance) C4'-P energy: -127.663 bonds (distance) P-C4' energy: -149.194 flat angles C4'-P-C4' energy: -152.303 flat angles P-C4'-P energy: -102.131 tors. eta vs tors. theta energy: -243.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2631.055395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.055395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.055395 (E_RNA) where: Base-Base interactions energy: -1882.879 where: short stacking energy: -794.050 Base-Backbone interact. energy: -0.812 local terms energy: -747.364986 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -129.736 flat angles C4'-P-C4' energy: -158.676 flat angles P-C4'-P energy: -103.407 tors. eta vs tors. theta energy: -227.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2545.774798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.774798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.774798 (E_RNA) where: Base-Base interactions energy: -1813.284 where: short stacking energy: -748.683 Base-Backbone interact. energy: -1.463 local terms energy: -731.027294 where: bonds (distance) C4'-P energy: -133.359 bonds (distance) P-C4' energy: -118.648 flat angles C4'-P-C4' energy: -158.920 flat angles P-C4'-P energy: -97.597 tors. eta vs tors. theta energy: -222.503 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: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2388.690916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.690916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.690916 (E_RNA) where: Base-Base interactions energy: -1673.742 where: short stacking energy: -683.134 Base-Backbone interact. energy: -2.684 local terms energy: -712.264832 where: bonds (distance) C4'-P energy: -113.519 bonds (distance) P-C4' energy: -130.983 flat angles C4'-P-C4' energy: -142.276 flat angles P-C4'-P energy: -110.925 tors. eta vs tors. theta energy: -214.563 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: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2383.023362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.023362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.023362 (E_RNA) where: Base-Base interactions energy: -1683.162 where: short stacking energy: -700.769 Base-Backbone interact. energy: -2.805 local terms energy: -697.056293 where: bonds (distance) C4'-P energy: -110.247 bonds (distance) P-C4' energy: -135.821 flat angles C4'-P-C4' energy: -148.521 flat angles P-C4'-P energy: -91.587 tors. eta vs tors. theta energy: -210.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2225.738812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.738812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.738812 (E_RNA) where: Base-Base interactions energy: -1589.175 where: short stacking energy: -648.726 Base-Backbone interact. energy: 4.442 local terms energy: -641.006155 where: bonds (distance) C4'-P energy: -121.041 bonds (distance) P-C4' energy: -115.077 flat angles C4'-P-C4' energy: -130.041 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -199.631 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: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2210.340207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.340207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.340207 (E_RNA) where: Base-Base interactions energy: -1560.660 where: short stacking energy: -631.546 Base-Backbone interact. energy: -1.137 local terms energy: -648.543526 where: bonds (distance) C4'-P energy: -106.796 bonds (distance) P-C4' energy: -111.639 flat angles C4'-P-C4' energy: -146.496 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: -202.650 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: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -2041.208802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.208802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.208802 (E_RNA) where: Base-Base interactions energy: -1484.259 where: short stacking energy: -601.753 Base-Backbone interact. energy: -1.112 local terms energy: -555.837220 where: bonds (distance) C4'-P energy: -87.031 bonds (distance) P-C4' energy: -80.282 flat angles C4'-P-C4' energy: -132.636 flat angles P-C4'-P energy: -81.353 tors. eta vs tors. theta energy: -174.536 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: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1939.141590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.141590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.141590 (E_RNA) where: Base-Base interactions energy: -1346.524 where: short stacking energy: -554.235 Base-Backbone interact. energy: 1.033 local terms energy: -593.650563 where: bonds (distance) C4'-P energy: -109.296 bonds (distance) P-C4' energy: -113.698 flat angles C4'-P-C4' energy: -128.272 flat angles P-C4'-P energy: -92.394 tors. eta vs tors. theta energy: -149.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -772.038640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.038640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.038640 (E_RNA) where: Base-Base interactions energy: -395.462 where: short stacking energy: -223.635 Base-Backbone interact. energy: 2.049 local terms energy: -378.625113 where: bonds (distance) C4'-P energy: -104.340 bonds (distance) P-C4' energy: -116.994 flat angles C4'-P-C4' energy: -87.590 flat angles P-C4'-P energy: -60.552 tors. eta vs tors. theta energy: -9.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2689.554189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.554189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.554189 (E_RNA) where: Base-Base interactions energy: -1917.496 where: short stacking energy: -783.597 Base-Backbone interact. energy: -1.085 local terms energy: -770.973039 where: bonds (distance) C4'-P energy: -133.940 bonds (distance) P-C4' energy: -134.272 flat angles C4'-P-C4' energy: -155.224 flat angles P-C4'-P energy: -104.876 tors. eta vs tors. theta energy: -242.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2650.984768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.984768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.984768 (E_RNA) where: Base-Base interactions energy: -1896.926 where: short stacking energy: -774.927 Base-Backbone interact. energy: 3.498 local terms energy: -757.556728 where: bonds (distance) C4'-P energy: -123.160 bonds (distance) P-C4' energy: -133.530 flat angles C4'-P-C4' energy: -160.448 flat angles P-C4'-P energy: -102.829 tors. eta vs tors. theta energy: -237.590 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: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2524.141844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.141844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.141844 (E_RNA) where: Base-Base interactions energy: -1794.745 where: short stacking energy: -742.702 Base-Backbone interact. energy: 1.591 local terms energy: -730.988151 where: bonds (distance) C4'-P energy: -128.405 bonds (distance) P-C4' energy: -122.823 flat angles C4'-P-C4' energy: -153.116 flat angles P-C4'-P energy: -107.304 tors. eta vs tors. theta energy: -219.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2401.931994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.931994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.931994 (E_RNA) where: Base-Base interactions energy: -1690.944 where: short stacking energy: -691.443 Base-Backbone interact. energy: -2.495 local terms energy: -708.492808 where: bonds (distance) C4'-P energy: -110.361 bonds (distance) P-C4' energy: -126.303 flat angles C4'-P-C4' energy: -147.850 flat angles P-C4'-P energy: -108.967 tors. eta vs tors. theta energy: -215.011 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: 297 Temperature: 1.100000 Total energy: -2360.421061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.421061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.421061 (E_RNA) where: Base-Base interactions energy: -1688.036 where: short stacking energy: -687.994 Base-Backbone interact. energy: 0.870 local terms energy: -673.255939 where: bonds (distance) C4'-P energy: -115.235 bonds (distance) P-C4' energy: -127.798 flat angles C4'-P-C4' energy: -139.639 flat angles P-C4'-P energy: -84.409 tors. eta vs tors. theta energy: -206.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2259.498583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.498583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.498583 (E_RNA) where: Base-Base interactions energy: -1613.280 where: short stacking energy: -656.002 Base-Backbone interact. energy: -0.625 local terms energy: -645.593579 where: bonds (distance) C4'-P energy: -108.998 bonds (distance) P-C4' energy: -118.893 flat angles C4'-P-C4' energy: -130.990 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -183.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2220.519032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.519032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.519032 (E_RNA) where: Base-Base interactions energy: -1583.988 where: short stacking energy: -660.159 Base-Backbone interact. energy: -0.027 local terms energy: -636.504099 where: bonds (distance) C4'-P energy: -114.210 bonds (distance) P-C4' energy: -107.119 flat angles C4'-P-C4' energy: -134.887 flat angles P-C4'-P energy: -85.516 tors. eta vs tors. theta energy: -194.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -2083.152909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.152909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.152909 (E_RNA) where: Base-Base interactions energy: -1518.350 where: short stacking energy: -631.876 Base-Backbone interact. energy: -0.310 local terms energy: -564.493584 where: bonds (distance) C4'-P energy: -91.978 bonds (distance) P-C4' energy: -98.169 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -86.450 tors. eta vs tors. theta energy: -175.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1945.866130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.866130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.866130 (E_RNA) where: Base-Base interactions energy: -1327.898 where: short stacking energy: -565.525 Base-Backbone interact. energy: -3.144 local terms energy: -614.824011 where: bonds (distance) C4'-P energy: -106.606 bonds (distance) P-C4' energy: -126.581 flat angles C4'-P-C4' energy: -135.215 flat angles P-C4'-P energy: -66.783 tors. eta vs tors. theta energy: -179.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -737.525093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.525093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.525093 (E_RNA) where: Base-Base interactions energy: -373.030 where: short stacking energy: -198.721 Base-Backbone interact. energy: 5.304 local terms energy: -369.799655 where: bonds (distance) C4'-P energy: -108.263 bonds (distance) P-C4' energy: -131.154 flat angles C4'-P-C4' energy: -90.791 flat angles P-C4'-P energy: -51.155 tors. eta vs tors. theta energy: 11.563 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: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2699.183864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.183864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.183864 (E_RNA) where: Base-Base interactions energy: -1912.715 where: short stacking energy: -797.969 Base-Backbone interact. energy: -4.120 local terms energy: -782.349239 where: bonds (distance) C4'-P energy: -141.282 bonds (distance) P-C4' energy: -125.773 flat angles C4'-P-C4' energy: -162.459 flat angles P-C4'-P energy: -107.483 tors. eta vs tors. theta energy: -245.352 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: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2642.625357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.625357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.625357 (E_RNA) where: Base-Base interactions energy: -1894.584 where: short stacking energy: -765.836 Base-Backbone interact. energy: -1.446 local terms energy: -746.596227 where: bonds (distance) C4'-P energy: -127.521 bonds (distance) P-C4' energy: -134.432 flat angles C4'-P-C4' energy: -153.565 flat angles P-C4'-P energy: -103.217 tors. eta vs tors. theta energy: -227.860 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: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2478.633351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.633351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.633351 (E_RNA) where: Base-Base interactions energy: -1751.976 where: short stacking energy: -727.731 Base-Backbone interact. energy: -1.381 local terms energy: -725.275977 where: bonds (distance) C4'-P energy: -117.788 bonds (distance) P-C4' energy: -126.588 flat angles C4'-P-C4' energy: -151.611 flat angles P-C4'-P energy: -108.549 tors. eta vs tors. theta energy: -220.740 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: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2483.423596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.423596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.423596 (E_RNA) where: Base-Base interactions energy: -1774.066 where: short stacking energy: -741.395 Base-Backbone interact. energy: -0.412 local terms energy: -708.945359 where: bonds (distance) C4'-P energy: -119.798 bonds (distance) P-C4' energy: -126.520 flat angles C4'-P-C4' energy: -143.212 flat angles P-C4'-P energy: -97.113 tors. eta vs tors. theta energy: -222.303 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: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2339.040488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.040488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.040488 (E_RNA) where: Base-Base interactions energy: -1680.945 where: short stacking energy: -687.576 Base-Backbone interact. energy: 0.453 local terms energy: -658.548024 where: bonds (distance) C4'-P energy: -113.790 bonds (distance) P-C4' energy: -110.907 flat angles C4'-P-C4' energy: -139.496 flat angles P-C4'-P energy: -93.714 tors. eta vs tors. theta energy: -200.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2269.186637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.186637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.186637 (E_RNA) where: Base-Base interactions energy: -1600.736 where: short stacking energy: -659.207 Base-Backbone interact. energy: -2.251 local terms energy: -666.199347 where: bonds (distance) C4'-P energy: -111.429 bonds (distance) P-C4' energy: -130.767 flat angles C4'-P-C4' energy: -137.650 flat angles P-C4'-P energy: -87.716 tors. eta vs tors. theta energy: -198.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2192.294330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.294330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.294330 (E_RNA) where: Base-Base interactions energy: -1552.936 where: short stacking energy: -629.663 Base-Backbone interact. energy: -0.591 local terms energy: -638.766887 where: bonds (distance) C4'-P energy: -101.513 bonds (distance) P-C4' energy: -118.078 flat angles C4'-P-C4' energy: -135.528 flat angles P-C4'-P energy: -99.086 tors. eta vs tors. theta energy: -184.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1994.702678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.702678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.702678 (E_RNA) where: Base-Base interactions energy: -1422.469 where: short stacking energy: -585.546 Base-Backbone interact. energy: -0.203 local terms energy: -572.031239 where: bonds (distance) C4'-P energy: -90.483 bonds (distance) P-C4' energy: -102.861 flat angles C4'-P-C4' energy: -128.934 flat angles P-C4'-P energy: -80.879 tors. eta vs tors. theta energy: -168.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1912.842232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.842232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.842232 (E_RNA) where: Base-Base interactions energy: -1326.104 where: short stacking energy: -561.350 Base-Backbone interact. energy: -0.887 local terms energy: -585.851990 where: bonds (distance) C4'-P energy: -99.988 bonds (distance) P-C4' energy: -121.466 flat angles C4'-P-C4' energy: -135.216 flat angles P-C4'-P energy: -79.904 tors. eta vs tors. theta energy: -149.279 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: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -733.157724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.157724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.157724 (E_RNA) where: Base-Base interactions energy: -358.817 where: short stacking energy: -208.354 Base-Backbone interact. energy: -1.635 local terms energy: -372.705690 where: bonds (distance) C4'-P energy: -103.285 bonds (distance) P-C4' energy: -107.215 flat angles C4'-P-C4' energy: -100.808 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -5.730 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: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2680.203808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.203808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.203808 (E_RNA) where: Base-Base interactions energy: -1874.285 where: short stacking energy: -774.397 Base-Backbone interact. energy: -4.007 local terms energy: -801.912398 where: bonds (distance) C4'-P energy: -148.571 bonds (distance) P-C4' energy: -142.064 flat angles C4'-P-C4' energy: -166.940 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -236.367 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: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2625.917207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.917207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.917207 (E_RNA) where: Base-Base interactions energy: -1876.069 where: short stacking energy: -760.838 Base-Backbone interact. energy: -0.095 local terms energy: -749.753155 where: bonds (distance) C4'-P energy: -120.180 bonds (distance) P-C4' energy: -129.704 flat angles C4'-P-C4' energy: -152.019 flat angles P-C4'-P energy: -121.910 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: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2491.940334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.940334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.940334 (E_RNA) where: Base-Base interactions energy: -1747.200 where: short stacking energy: -725.190 Base-Backbone interact. energy: -1.496 local terms energy: -743.245059 where: bonds (distance) C4'-P energy: -120.648 bonds (distance) P-C4' energy: -129.187 flat angles C4'-P-C4' energy: -157.214 flat angles P-C4'-P energy: -115.436 tors. eta vs tors. theta energy: -220.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2500.512148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.512148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.512148 (E_RNA) where: Base-Base interactions energy: -1770.068 where: short stacking energy: -720.580 Base-Backbone interact. energy: -2.357 local terms energy: -728.086631 where: bonds (distance) C4'-P energy: -122.200 bonds (distance) P-C4' energy: -126.324 flat angles C4'-P-C4' energy: -150.136 flat angles P-C4'-P energy: -108.096 tors. eta vs tors. theta energy: -221.330 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: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2347.592320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.592320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.592320 (E_RNA) where: Base-Base interactions energy: -1633.059 where: short stacking energy: -677.243 Base-Backbone interact. energy: -2.746 local terms energy: -711.787056 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -127.051 flat angles C4'-P-C4' energy: -145.300 flat angles P-C4'-P energy: -93.629 tors. eta vs tors. theta energy: -225.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2218.912208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.912208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.912208 (E_RNA) where: Base-Base interactions energy: -1569.684 where: short stacking energy: -646.992 Base-Backbone interact. energy: -1.199 local terms energy: -648.029660 where: bonds (distance) C4'-P energy: -113.425 bonds (distance) P-C4' energy: -131.629 flat angles C4'-P-C4' energy: -147.722 flat angles P-C4'-P energy: -75.013 tors. eta vs tors. theta energy: -180.241 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: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2233.778848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.778848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.778848 (E_RNA) where: Base-Base interactions energy: -1612.873 where: short stacking energy: -653.557 Base-Backbone interact. energy: -0.500 local terms energy: -620.406374 where: bonds (distance) C4'-P energy: -102.608 bonds (distance) P-C4' energy: -130.896 flat angles C4'-P-C4' energy: -119.188 flat angles P-C4'-P energy: -83.455 tors. eta vs tors. theta energy: -184.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -2075.183899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.183899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.183899 (E_RNA) where: Base-Base interactions energy: -1463.810 where: short stacking energy: -596.409 Base-Backbone interact. energy: -1.935 local terms energy: -609.439452 where: bonds (distance) C4'-P energy: -110.374 bonds (distance) P-C4' energy: -107.891 flat angles C4'-P-C4' energy: -132.250 flat angles P-C4'-P energy: -84.822 tors. eta vs tors. theta energy: -174.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1994.869158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.869158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.869158 (E_RNA) where: Base-Base interactions energy: -1413.277 where: short stacking energy: -547.414 Base-Backbone interact. energy: 1.625 local terms energy: -583.217220 where: bonds (distance) C4'-P energy: -102.615 bonds (distance) P-C4' energy: -124.124 flat angles C4'-P-C4' energy: -126.241 flat angles P-C4'-P energy: -80.488 tors. eta vs tors. theta energy: -149.749 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: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -719.574928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.574928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.574928 (E_RNA) where: Base-Base interactions energy: -349.076 where: short stacking energy: -169.567 Base-Backbone interact. energy: -1.858 local terms energy: -368.641038 where: bonds (distance) C4'-P energy: -95.181 bonds (distance) P-C4' energy: -133.550 flat angles C4'-P-C4' energy: -87.125 flat angles P-C4'-P energy: -53.447 tors. eta vs tors. theta energy: 0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2669.281852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.281852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.281852 (E_RNA) where: Base-Base interactions energy: -1918.856 where: short stacking energy: -773.607 Base-Backbone interact. energy: -2.716 local terms energy: -747.710187 where: bonds (distance) C4'-P energy: -119.425 bonds (distance) P-C4' energy: -131.269 flat angles C4'-P-C4' energy: -158.503 flat angles P-C4'-P energy: -98.790 tors. eta vs tors. theta energy: -239.724 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: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2604.296913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.296913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.296913 (E_RNA) where: Base-Base interactions energy: -1852.107 where: short stacking energy: -738.911 Base-Backbone interact. energy: 1.482 local terms energy: -753.671470 where: bonds (distance) C4'-P energy: -138.214 bonds (distance) P-C4' energy: -139.484 flat angles C4'-P-C4' energy: -157.152 flat angles P-C4'-P energy: -101.782 tors. eta vs tors. theta energy: -217.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2515.270279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.270279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.270279 (E_RNA) where: Base-Base interactions energy: -1775.213 where: short stacking energy: -734.164 Base-Backbone interact. energy: -1.139 local terms energy: -738.918580 where: bonds (distance) C4'-P energy: -123.344 bonds (distance) P-C4' energy: -123.261 flat angles C4'-P-C4' energy: -163.945 flat angles P-C4'-P energy: -101.600 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: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2495.318039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.318039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.318039 (E_RNA) where: Base-Base interactions energy: -1782.474 where: short stacking energy: -742.005 Base-Backbone interact. energy: 3.235 local terms energy: -716.078900 where: bonds (distance) C4'-P energy: -114.525 bonds (distance) P-C4' energy: -126.891 flat angles C4'-P-C4' energy: -146.965 flat angles P-C4'-P energy: -104.166 tors. eta vs tors. theta energy: -223.532 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: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2317.066386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.066386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.066386 (E_RNA) where: Base-Base interactions energy: -1623.656 where: short stacking energy: -685.608 Base-Backbone interact. energy: 0.204 local terms energy: -693.614734 where: bonds (distance) C4'-P energy: -114.271 bonds (distance) P-C4' energy: -127.393 flat angles C4'-P-C4' energy: -135.506 flat angles P-C4'-P energy: -101.400 tors. eta vs tors. theta energy: -215.045 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: 300 Temperature: 1.150000 Total energy: -2251.029754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.029754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.029754 (E_RNA) where: Base-Base interactions energy: -1615.875 where: short stacking energy: -623.358 Base-Backbone interact. energy: -1.519 local terms energy: -633.635657 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -120.578 flat angles C4'-P-C4' energy: -141.107 flat angles P-C4'-P energy: -93.446 tors. eta vs tors. theta energy: -183.741 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: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2136.874161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.874161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.874161 (E_RNA) where: Base-Base interactions energy: -1504.459 where: short stacking energy: -604.725 Base-Backbone interact. energy: -2.508 local terms energy: -629.907448 where: bonds (distance) C4'-P energy: -103.979 bonds (distance) P-C4' energy: -132.456 flat angles C4'-P-C4' energy: -137.387 flat angles P-C4'-P energy: -72.934 tors. eta vs tors. theta energy: -183.152 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: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -2102.434171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.434171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.434171 (E_RNA) where: Base-Base interactions energy: -1480.139 where: short stacking energy: -599.704 Base-Backbone interact. energy: -1.523 local terms energy: -620.772220 where: bonds (distance) C4'-P energy: -115.785 bonds (distance) P-C4' energy: -109.323 flat angles C4'-P-C4' energy: -140.326 flat angles P-C4'-P energy: -78.240 tors. eta vs tors. theta energy: -177.098 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: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1976.207463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.207463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.207463 (E_RNA) where: Base-Base interactions energy: -1410.861 where: short stacking energy: -564.738 Base-Backbone interact. energy: 3.596 local terms energy: -568.942353 where: bonds (distance) C4'-P energy: -81.545 bonds (distance) P-C4' energy: -121.490 flat angles C4'-P-C4' energy: -129.312 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -161.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -746.124460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.124460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.124460 (E_RNA) where: Base-Base interactions energy: -408.074 where: short stacking energy: -213.909 Base-Backbone interact. energy: -1.660 local terms energy: -336.389954 where: bonds (distance) C4'-P energy: -113.337 bonds (distance) P-C4' energy: -100.460 flat angles C4'-P-C4' energy: -80.906 flat angles P-C4'-P energy: -59.704 tors. eta vs tors. theta energy: 18.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2677.154048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.154048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.154048 (E_RNA) where: Base-Base interactions energy: -1899.143 where: short stacking energy: -781.826 Base-Backbone interact. energy: -1.978 local terms energy: -776.032810 where: bonds (distance) C4'-P energy: -134.890 bonds (distance) P-C4' energy: -144.911 flat angles C4'-P-C4' energy: -159.435 flat angles P-C4'-P energy: -103.875 tors. eta vs tors. theta energy: -232.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2600.233338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.233338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.233338 (E_RNA) where: Base-Base interactions energy: -1853.216 where: short stacking energy: -731.441 Base-Backbone interact. energy: -1.824 local terms energy: -745.193502 where: bonds (distance) C4'-P energy: -141.871 bonds (distance) P-C4' energy: -129.617 flat angles C4'-P-C4' energy: -143.785 flat angles P-C4'-P energy: -101.159 tors. eta vs tors. theta energy: -228.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2549.688380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.688380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.688380 (E_RNA) where: Base-Base interactions energy: -1813.481 where: short stacking energy: -743.198 Base-Backbone interact. energy: -0.180 local terms energy: -736.027150 where: bonds (distance) C4'-P energy: -133.754 bonds (distance) P-C4' energy: -126.333 flat angles C4'-P-C4' energy: -147.580 flat angles P-C4'-P energy: -107.667 tors. eta vs tors. theta energy: -220.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2491.365610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.365610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.365610 (E_RNA) where: Base-Base interactions energy: -1793.319 where: short stacking energy: -723.650 Base-Backbone interact. energy: -0.907 local terms energy: -697.139442 where: bonds (distance) C4'-P energy: -116.748 bonds (distance) P-C4' energy: -120.377 flat angles C4'-P-C4' energy: -139.065 flat angles P-C4'-P energy: -102.689 tors. eta vs tors. theta energy: -218.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2338.326635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.326635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.326635 (E_RNA) where: Base-Base interactions energy: -1684.327 where: short stacking energy: -677.697 Base-Backbone interact. energy: -2.176 local terms energy: -651.823966 where: bonds (distance) C4'-P energy: -121.818 bonds (distance) P-C4' energy: -123.728 flat angles C4'-P-C4' energy: -113.214 flat angles P-C4'-P energy: -89.020 tors. eta vs tors. theta energy: -204.044 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: 6, replica: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2229.787100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.787100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.787100 (E_RNA) where: Base-Base interactions energy: -1595.244 where: short stacking energy: -624.247 Base-Backbone interact. energy: 1.940 local terms energy: -636.483533 where: bonds (distance) C4'-P energy: -118.549 bonds (distance) P-C4' energy: -103.853 flat angles C4'-P-C4' energy: -123.828 flat angles P-C4'-P energy: -98.786 tors. eta vs tors. theta energy: -191.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2135.398868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.398868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.398868 (E_RNA) where: Base-Base interactions energy: -1507.693 where: short stacking energy: -616.695 Base-Backbone interact. energy: 0.837 local terms energy: -628.543031 where: bonds (distance) C4'-P energy: -111.214 bonds (distance) P-C4' energy: -129.841 flat angles C4'-P-C4' energy: -122.545 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -184.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -2116.068550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.068550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.068550 (E_RNA) where: Base-Base interactions energy: -1501.852 where: short stacking energy: -609.054 Base-Backbone interact. energy: 0.055 local terms energy: -614.271592 where: bonds (distance) C4'-P energy: -98.648 bonds (distance) P-C4' energy: -107.506 flat angles C4'-P-C4' energy: -130.843 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -183.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1934.694860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.694860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.694860 (E_RNA) where: Base-Base interactions energy: -1343.074 where: short stacking energy: -554.661 Base-Backbone interact. energy: -1.004 local terms energy: -590.615972 where: bonds (distance) C4'-P energy: -107.750 bonds (distance) P-C4' energy: -108.217 flat angles C4'-P-C4' energy: -125.789 flat angles P-C4'-P energy: -81.572 tors. eta vs tors. theta energy: -167.287 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: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -732.964083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.964083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.964083 (E_RNA) where: Base-Base interactions energy: -367.672 where: short stacking energy: -193.109 Base-Backbone interact. energy: 9.741 local terms energy: -375.032674 where: bonds (distance) C4'-P energy: -110.874 bonds (distance) P-C4' energy: -106.919 flat angles C4'-P-C4' energy: -109.015 flat angles P-C4'-P energy: -47.691 tors. eta vs tors. theta energy: -0.533 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: 302 Temperature: 0.900000 Total energy: -2647.564459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.564459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.564459 (E_RNA) where: Base-Base interactions energy: -1882.955 where: short stacking energy: -771.674 Base-Backbone interact. energy: -0.712 local terms energy: -763.898007 where: bonds (distance) C4'-P energy: -119.906 bonds (distance) P-C4' energy: -143.913 flat angles C4'-P-C4' energy: -156.290 flat angles P-C4'-P energy: -109.721 tors. eta vs tors. theta energy: -234.068 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: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2642.531328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.531328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.531328 (E_RNA) where: Base-Base interactions energy: -1910.236 where: short stacking energy: -755.532 Base-Backbone interact. energy: -0.669 local terms energy: -731.626720 where: bonds (distance) C4'-P energy: -117.304 bonds (distance) P-C4' energy: -124.770 flat angles C4'-P-C4' energy: -154.088 flat angles P-C4'-P energy: -101.784 tors. eta vs tors. theta energy: -233.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2527.661568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.661568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.661568 (E_RNA) where: Base-Base interactions energy: -1806.254 where: short stacking energy: -732.481 Base-Backbone interact. energy: -0.967 local terms energy: -720.440615 where: bonds (distance) C4'-P energy: -121.353 bonds (distance) P-C4' energy: -125.284 flat angles C4'-P-C4' energy: -147.094 flat angles P-C4'-P energy: -95.677 tors. eta vs tors. theta energy: -231.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2459.313683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.313683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.313683 (E_RNA) where: Base-Base interactions energy: -1757.172 where: short stacking energy: -717.451 Base-Backbone interact. energy: -0.896 local terms energy: -701.245834 where: bonds (distance) C4'-P energy: -112.062 bonds (distance) P-C4' energy: -126.450 flat angles C4'-P-C4' energy: -154.681 flat angles P-C4'-P energy: -91.373 tors. eta vs tors. theta energy: -216.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2376.541922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.541922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.541922 (E_RNA) where: Base-Base interactions energy: -1711.180 where: short stacking energy: -679.498 Base-Backbone interact. energy: -1.387 local terms energy: -663.974542 where: bonds (distance) C4'-P energy: -107.139 bonds (distance) P-C4' energy: -120.818 flat angles C4'-P-C4' energy: -148.671 flat angles P-C4'-P energy: -77.723 tors. eta vs tors. theta energy: -209.624 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: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2219.573766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.573766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.573766 (E_RNA) where: Base-Base interactions energy: -1557.495 where: short stacking energy: -644.301 Base-Backbone interact. energy: -1.442 local terms energy: -660.636537 where: bonds (distance) C4'-P energy: -114.152 bonds (distance) P-C4' energy: -124.636 flat angles C4'-P-C4' energy: -143.164 flat angles P-C4'-P energy: -83.850 tors. eta vs tors. theta energy: -194.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2127.439473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.439473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.439473 (E_RNA) where: Base-Base interactions energy: -1502.180 where: short stacking energy: -593.433 Base-Backbone interact. energy: -0.186 local terms energy: -625.073977 where: bonds (distance) C4'-P energy: -111.917 bonds (distance) P-C4' energy: -117.142 flat angles C4'-P-C4' energy: -139.760 flat angles P-C4'-P energy: -85.100 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: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -2148.702695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.702695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.702695 (E_RNA) where: Base-Base interactions energy: -1553.592 where: short stacking energy: -619.951 Base-Backbone interact. energy: -0.646 local terms energy: -594.465062 where: bonds (distance) C4'-P energy: -87.850 bonds (distance) P-C4' energy: -110.771 flat angles C4'-P-C4' energy: -129.416 flat angles P-C4'-P energy: -80.476 tors. eta vs tors. theta energy: -185.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1963.059335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.059335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.059335 (E_RNA) where: Base-Base interactions energy: -1378.229 where: short stacking energy: -568.262 Base-Backbone interact. energy: -2.142 local terms energy: -582.687754 where: bonds (distance) C4'-P energy: -102.648 bonds (distance) P-C4' energy: -113.980 flat angles C4'-P-C4' energy: -130.074 flat angles P-C4'-P energy: -75.982 tors. eta vs tors. theta energy: -160.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -753.052788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.052788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.052788 (E_RNA) where: Base-Base interactions energy: -412.822 where: short stacking energy: -217.911 Base-Backbone interact. energy: -0.336 local terms energy: -339.894624 where: bonds (distance) C4'-P energy: -88.980 bonds (distance) P-C4' energy: -89.980 flat angles C4'-P-C4' energy: -97.366 flat angles P-C4'-P energy: -58.944 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2654.280518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.280518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.280518 (E_RNA) where: Base-Base interactions energy: -1882.867 where: short stacking energy: -769.432 Base-Backbone interact. energy: -2.078 local terms energy: -769.335484 where: bonds (distance) C4'-P energy: -122.384 bonds (distance) P-C4' energy: -139.416 flat angles C4'-P-C4' energy: -165.320 flat angles P-C4'-P energy: -107.345 tors. eta vs tors. theta energy: -234.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2641.655048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.655048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.655048 (E_RNA) where: Base-Base interactions energy: -1885.973 where: short stacking energy: -755.482 Base-Backbone interact. energy: -0.552 local terms energy: -755.130776 where: bonds (distance) C4'-P energy: -134.867 bonds (distance) P-C4' energy: -133.994 flat angles C4'-P-C4' energy: -150.686 flat angles P-C4'-P energy: -104.742 tors. eta vs tors. theta energy: -230.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2558.811140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.811140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.811140 (E_RNA) where: Base-Base interactions energy: -1832.244 where: short stacking energy: -727.913 Base-Backbone interact. energy: -1.238 local terms energy: -725.329485 where: bonds (distance) C4'-P energy: -127.291 bonds (distance) P-C4' energy: -119.776 flat angles C4'-P-C4' energy: -145.421 flat angles P-C4'-P energy: -101.402 tors. eta vs tors. theta energy: -231.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2475.331917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.331917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.331917 (E_RNA) where: Base-Base interactions energy: -1757.134 where: short stacking energy: -720.305 Base-Backbone interact. energy: -0.952 local terms energy: -717.245937 where: bonds (distance) C4'-P energy: -108.123 bonds (distance) P-C4' energy: -123.974 flat angles C4'-P-C4' energy: -159.624 flat angles P-C4'-P energy: -101.130 tors. eta vs tors. theta energy: -224.396 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: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2403.681141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.681141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.681141 (E_RNA) where: Base-Base interactions energy: -1723.483 where: short stacking energy: -698.267 Base-Backbone interact. energy: 0.028 local terms energy: -680.225553 where: bonds (distance) C4'-P energy: -111.967 bonds (distance) P-C4' energy: -116.338 flat angles C4'-P-C4' energy: -136.950 flat angles P-C4'-P energy: -99.425 tors. eta vs tors. theta energy: -215.546 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: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2256.119396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.119396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.119396 (E_RNA) where: Base-Base interactions energy: -1583.653 where: short stacking energy: -654.921 Base-Backbone interact. energy: -4.333 local terms energy: -668.132535 where: bonds (distance) C4'-P energy: -111.170 bonds (distance) P-C4' energy: -116.238 flat angles C4'-P-C4' energy: -139.063 flat angles P-C4'-P energy: -103.653 tors. eta vs tors. theta energy: -198.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2185.956373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.956373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.956373 (E_RNA) where: Base-Base interactions energy: -1541.405 where: short stacking energy: -618.978 Base-Backbone interact. energy: -1.544 local terms energy: -643.007104 where: bonds (distance) C4'-P energy: -110.715 bonds (distance) P-C4' energy: -121.640 flat angles C4'-P-C4' energy: -146.488 flat angles P-C4'-P energy: -73.102 tors. eta vs tors. theta energy: -191.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -2085.045801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.045801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.045801 (E_RNA) where: Base-Base interactions energy: -1474.014 where: short stacking energy: -595.109 Base-Backbone interact. energy: -2.212 local terms energy: -608.820138 where: bonds (distance) C4'-P energy: -101.645 bonds (distance) P-C4' energy: -117.928 flat angles C4'-P-C4' energy: -134.684 flat angles P-C4'-P energy: -79.036 tors. eta vs tors. theta energy: -175.528 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: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1920.002785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.002785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.002785 (E_RNA) where: Base-Base interactions energy: -1325.216 where: short stacking energy: -534.769 Base-Backbone interact. energy: -0.448 local terms energy: -594.338513 where: bonds (distance) C4'-P energy: -99.448 bonds (distance) P-C4' energy: -129.538 flat angles C4'-P-C4' energy: -122.186 flat angles P-C4'-P energy: -83.070 tors. eta vs tors. theta energy: -160.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -792.929508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.929508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.929508 (E_RNA) where: Base-Base interactions energy: -430.137 where: short stacking energy: -220.032 Base-Backbone interact. energy: -0.347 local terms energy: -362.445205 where: bonds (distance) C4'-P energy: -92.569 bonds (distance) P-C4' energy: -102.147 flat angles C4'-P-C4' energy: -110.289 flat angles P-C4'-P energy: -47.776 tors. eta vs tors. theta energy: -9.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2673.340328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.340328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.340328 (E_RNA) where: Base-Base interactions energy: -1914.415 where: short stacking energy: -771.660 Base-Backbone interact. energy: -2.858 local terms energy: -756.067745 where: bonds (distance) C4'-P energy: -131.705 bonds (distance) P-C4' energy: -143.690 flat angles C4'-P-C4' energy: -149.445 flat angles P-C4'-P energy: -99.394 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: 2, replica: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2641.697355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.697355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.697355 (E_RNA) where: Base-Base interactions energy: -1894.755 where: short stacking energy: -760.729 Base-Backbone interact. energy: 4.032 local terms energy: -750.974632 where: bonds (distance) C4'-P energy: -132.695 bonds (distance) P-C4' energy: -132.373 flat angles C4'-P-C4' energy: -147.798 flat angles P-C4'-P energy: -101.768 tors. eta vs tors. theta energy: -236.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2539.715013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.715013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.715013 (E_RNA) where: Base-Base interactions energy: -1823.971 where: short stacking energy: -746.255 Base-Backbone interact. energy: -0.461 local terms energy: -715.283192 where: bonds (distance) C4'-P energy: -130.046 bonds (distance) P-C4' energy: -104.014 flat angles C4'-P-C4' energy: -149.683 flat angles P-C4'-P energy: -104.563 tors. eta vs tors. theta energy: -226.977 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: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2495.927845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.927845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.927845 (E_RNA) where: Base-Base interactions energy: -1800.255 where: short stacking energy: -732.261 Base-Backbone interact. energy: -1.867 local terms energy: -693.805803 where: bonds (distance) C4'-P energy: -115.270 bonds (distance) P-C4' energy: -117.292 flat angles C4'-P-C4' energy: -150.225 flat angles P-C4'-P energy: -88.532 tors. eta vs tors. theta energy: -222.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2399.114928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.114928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.114928 (E_RNA) where: Base-Base interactions energy: -1728.091 where: short stacking energy: -696.621 Base-Backbone interact. energy: -1.472 local terms energy: -669.551998 where: bonds (distance) C4'-P energy: -117.323 bonds (distance) P-C4' energy: -106.672 flat angles C4'-P-C4' energy: -140.504 flat angles P-C4'-P energy: -95.511 tors. eta vs tors. theta energy: -209.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2233.345379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.345379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.345379 (E_RNA) where: Base-Base interactions energy: -1580.480 where: short stacking energy: -656.156 Base-Backbone interact. energy: -2.527 local terms energy: -650.338364 where: bonds (distance) C4'-P energy: -119.985 bonds (distance) P-C4' energy: -129.416 flat angles C4'-P-C4' energy: -134.537 flat angles P-C4'-P energy: -76.442 tors. eta vs tors. theta energy: -189.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2148.585033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.585033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.585033 (E_RNA) where: Base-Base interactions energy: -1542.570 where: short stacking energy: -620.640 Base-Backbone interact. energy: -1.790 local terms energy: -604.224811 where: bonds (distance) C4'-P energy: -98.831 bonds (distance) P-C4' energy: -121.120 flat angles C4'-P-C4' energy: -133.652 flat angles P-C4'-P energy: -78.623 tors. eta vs tors. theta energy: -171.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -2087.250794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.250794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.250794 (E_RNA) where: Base-Base interactions energy: -1464.083 where: short stacking energy: -602.886 Base-Backbone interact. energy: 0.129 local terms energy: -623.297124 where: bonds (distance) C4'-P energy: -107.037 bonds (distance) P-C4' energy: -108.870 flat angles C4'-P-C4' energy: -140.979 flat angles P-C4'-P energy: -92.592 tors. eta vs tors. theta energy: -173.820 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1939.070106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.070106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.070106 (E_RNA) where: Base-Base interactions energy: -1334.614 where: short stacking energy: -584.613 Base-Backbone interact. energy: -2.371 local terms energy: -602.085533 where: bonds (distance) C4'-P energy: -105.075 bonds (distance) P-C4' energy: -115.225 flat angles C4'-P-C4' energy: -133.456 flat angles P-C4'-P energy: -88.411 tors. eta vs tors. theta energy: -159.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -801.879204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.879204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.879204 (E_RNA) where: Base-Base interactions energy: -416.655 where: short stacking energy: -210.088 Base-Backbone interact. energy: 1.319 local terms energy: -386.543146 where: bonds (distance) C4'-P energy: -91.129 bonds (distance) P-C4' energy: -116.360 flat angles C4'-P-C4' energy: -109.668 flat angles P-C4'-P energy: -58.894 tors. eta vs tors. theta energy: -10.492 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: 305 Temperature: 0.900000 Total energy: -2662.965447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.965447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.965447 (E_RNA) where: Base-Base interactions energy: -1887.982 where: short stacking energy: -767.321 Base-Backbone interact. energy: -2.850 local terms energy: -772.133554 where: bonds (distance) C4'-P energy: -132.498 bonds (distance) P-C4' energy: -134.608 flat angles C4'-P-C4' energy: -160.862 flat angles P-C4'-P energy: -113.796 tors. eta vs tors. theta energy: -230.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2606.911692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.911692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.911692 (E_RNA) where: Base-Base interactions energy: -1856.431 where: short stacking energy: -744.735 Base-Backbone interact. energy: -1.121 local terms energy: -749.359559 where: bonds (distance) C4'-P energy: -129.988 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -102.445 tors. eta vs tors. theta energy: -230.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2515.829875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.829875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.829875 (E_RNA) where: Base-Base interactions energy: -1785.712 where: short stacking energy: -740.032 Base-Backbone interact. energy: 1.137 local terms energy: -731.254795 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -132.608 flat angles C4'-P-C4' energy: -154.220 flat angles P-C4'-P energy: -106.724 tors. eta vs tors. theta energy: -223.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2475.716740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.716740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.716740 (E_RNA) where: Base-Base interactions energy: -1791.156 where: short stacking energy: -727.383 Base-Backbone interact. energy: -3.292 local terms energy: -681.268951 where: bonds (distance) C4'-P energy: -115.174 bonds (distance) P-C4' energy: -103.175 flat angles C4'-P-C4' energy: -152.802 flat angles P-C4'-P energy: -98.771 tors. eta vs tors. theta energy: -211.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2404.681903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.681903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.681903 (E_RNA) where: Base-Base interactions energy: -1688.814 where: short stacking energy: -683.327 Base-Backbone interact. energy: -0.333 local terms energy: -715.535355 where: bonds (distance) C4'-P energy: -133.433 bonds (distance) P-C4' energy: -123.408 flat angles C4'-P-C4' energy: -146.089 flat angles P-C4'-P energy: -90.132 tors. eta vs tors. theta energy: -222.473 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: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2326.022422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.022422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.022422 (E_RNA) where: Base-Base interactions energy: -1658.034 where: short stacking energy: -677.760 Base-Backbone interact. energy: 4.188 local terms energy: -672.176065 where: bonds (distance) C4'-P energy: -111.248 bonds (distance) P-C4' energy: -120.985 flat angles C4'-P-C4' energy: -142.581 flat angles P-C4'-P energy: -98.366 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: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2172.332911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.332911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.332911 (E_RNA) where: Base-Base interactions energy: -1558.003 where: short stacking energy: -626.310 Base-Backbone interact. energy: -1.265 local terms energy: -613.064392 where: bonds (distance) C4'-P energy: -113.697 bonds (distance) P-C4' energy: -107.422 flat angles C4'-P-C4' energy: -135.885 flat angles P-C4'-P energy: -82.111 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: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -2135.151088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.151088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.151088 (E_RNA) where: Base-Base interactions energy: -1505.079 where: short stacking energy: -603.718 Base-Backbone interact. energy: -2.225 local terms energy: -627.847268 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -95.718 flat angles C4'-P-C4' energy: -133.578 flat angles P-C4'-P energy: -95.518 tors. eta vs tors. theta energy: -181.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1909.680510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.680510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.680510 (E_RNA) where: Base-Base interactions energy: -1359.814 where: short stacking energy: -555.698 Base-Backbone interact. energy: 1.264 local terms energy: -551.131201 where: bonds (distance) C4'-P energy: -99.391 bonds (distance) P-C4' energy: -108.123 flat angles C4'-P-C4' energy: -119.848 flat angles P-C4'-P energy: -76.779 tors. eta vs tors. theta energy: -146.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -762.284650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.284650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.284650 (E_RNA) where: Base-Base interactions energy: -411.624 where: short stacking energy: -206.585 Base-Backbone interact. energy: 6.100 local terms energy: -356.760666 where: bonds (distance) C4'-P energy: -103.657 bonds (distance) P-C4' energy: -100.627 flat angles C4'-P-C4' energy: -93.915 flat angles P-C4'-P energy: -64.582 tors. eta vs tors. theta energy: 6.021 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: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2688.249418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.249418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.249418 (E_RNA) where: Base-Base interactions energy: -1930.158 where: short stacking energy: -783.011 Base-Backbone interact. energy: -0.965 local terms energy: -757.126597 where: bonds (distance) C4'-P energy: -119.404 bonds (distance) P-C4' energy: -131.695 flat angles C4'-P-C4' energy: -156.243 flat angles P-C4'-P energy: -118.426 tors. eta vs tors. theta energy: -231.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2631.811610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.811610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.811610 (E_RNA) where: Base-Base interactions energy: -1859.425 where: short stacking energy: -760.241 Base-Backbone interact. energy: -1.700 local terms energy: -770.686619 where: bonds (distance) C4'-P energy: -139.052 bonds (distance) P-C4' energy: -123.741 flat angles C4'-P-C4' energy: -159.989 flat angles P-C4'-P energy: -114.466 tors. eta vs tors. theta energy: -233.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2539.275552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.275552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.275552 (E_RNA) where: Base-Base interactions energy: -1795.171 where: short stacking energy: -750.212 Base-Backbone interact. energy: -3.637 local terms energy: -740.467540 where: bonds (distance) C4'-P energy: -131.437 bonds (distance) P-C4' energy: -130.733 flat angles C4'-P-C4' energy: -139.752 flat angles P-C4'-P energy: -103.230 tors. eta vs tors. theta energy: -235.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2481.250590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.250590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.250590 (E_RNA) where: Base-Base interactions energy: -1776.356 where: short stacking energy: -738.605 Base-Backbone interact. energy: -2.425 local terms energy: -702.469279 where: bonds (distance) C4'-P energy: -119.024 bonds (distance) P-C4' energy: -115.503 flat angles C4'-P-C4' energy: -143.367 flat angles P-C4'-P energy: -101.170 tors. eta vs tors. theta energy: -223.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2418.166454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.166454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.166454 (E_RNA) where: Base-Base interactions energy: -1707.769 where: short stacking energy: -696.033 Base-Backbone interact. energy: -1.827 local terms energy: -708.570771 where: bonds (distance) C4'-P energy: -125.373 bonds (distance) P-C4' energy: -132.561 flat angles C4'-P-C4' energy: -135.283 flat angles P-C4'-P energy: -91.747 tors. eta vs tors. theta energy: -223.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2226.557271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.557271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.557271 (E_RNA) where: Base-Base interactions energy: -1560.721 where: short stacking energy: -655.005 Base-Backbone interact. energy: 1.567 local terms energy: -667.403413 where: bonds (distance) C4'-P energy: -116.775 bonds (distance) P-C4' energy: -130.514 flat angles C4'-P-C4' energy: -142.494 flat angles P-C4'-P energy: -93.733 tors. eta vs tors. theta energy: -183.888 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: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2162.820258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.820258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.820258 (E_RNA) where: Base-Base interactions energy: -1545.555 where: short stacking energy: -621.669 Base-Backbone interact. energy: -0.272 local terms energy: -616.994126 where: bonds (distance) C4'-P energy: -112.006 bonds (distance) P-C4' energy: -111.578 flat angles C4'-P-C4' energy: -126.027 flat angles P-C4'-P energy: -76.877 tors. eta vs tors. theta energy: -190.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -2135.894092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.894092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.894092 (E_RNA) where: Base-Base interactions energy: -1537.661 where: short stacking energy: -610.548 Base-Backbone interact. energy: -1.886 local terms energy: -596.346928 where: bonds (distance) C4'-P energy: -95.227 bonds (distance) P-C4' energy: -127.978 flat angles C4'-P-C4' energy: -119.745 flat angles P-C4'-P energy: -85.066 tors. eta vs tors. theta energy: -168.330 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: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1979.507840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.507840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.507840 (E_RNA) where: Base-Base interactions energy: -1394.800 where: short stacking energy: -577.672 Base-Backbone interact. energy: 0.936 local terms energy: -585.643402 where: bonds (distance) C4'-P energy: -103.113 bonds (distance) P-C4' energy: -100.540 flat angles C4'-P-C4' energy: -133.061 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -166.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -803.038881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.038881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.038881 (E_RNA) where: Base-Base interactions energy: -410.498 where: short stacking energy: -203.100 Base-Backbone interact. energy: 1.204 local terms energy: -393.744623 where: bonds (distance) C4'-P energy: -126.627 bonds (distance) P-C4' energy: -125.990 flat angles C4'-P-C4' energy: -94.389 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: 2.480 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: 307 Temperature: 0.900000 Total energy: -2676.041034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.041034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.041034 (E_RNA) where: Base-Base interactions energy: -1905.462 where: short stacking energy: -771.616 Base-Backbone interact. energy: -1.417 local terms energy: -769.162389 where: bonds (distance) C4'-P energy: -144.086 bonds (distance) P-C4' energy: -131.495 flat angles C4'-P-C4' energy: -153.712 flat angles P-C4'-P energy: -108.630 tors. eta vs tors. theta energy: -231.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2639.099383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.099383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.099383 (E_RNA) where: Base-Base interactions energy: -1882.147 where: short stacking energy: -777.913 Base-Backbone interact. energy: 0.958 local terms energy: -757.910480 where: bonds (distance) C4'-P energy: -135.177 bonds (distance) P-C4' energy: -123.837 flat angles C4'-P-C4' energy: -159.402 flat angles P-C4'-P energy: -103.801 tors. eta vs tors. theta energy: -235.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2509.364404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.364404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.364404 (E_RNA) where: Base-Base interactions energy: -1794.005 where: short stacking energy: -745.361 Base-Backbone interact. energy: 3.773 local terms energy: -719.132526 where: bonds (distance) C4'-P energy: -120.397 bonds (distance) P-C4' energy: -131.762 flat angles C4'-P-C4' energy: -140.966 flat angles P-C4'-P energy: -101.614 tors. eta vs tors. theta energy: -224.394 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: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2484.911290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.911290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.911290 (E_RNA) where: Base-Base interactions energy: -1757.238 where: short stacking energy: -699.678 Base-Backbone interact. energy: -1.061 local terms energy: -726.612559 where: bonds (distance) C4'-P energy: -131.867 bonds (distance) P-C4' energy: -124.102 flat angles C4'-P-C4' energy: -137.675 flat angles P-C4'-P energy: -112.655 tors. eta vs tors. theta energy: -220.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2377.537447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.537447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.537447 (E_RNA) where: Base-Base interactions energy: -1680.532 where: short stacking energy: -688.061 Base-Backbone interact. energy: 2.616 local terms energy: -699.620857 where: bonds (distance) C4'-P energy: -124.067 bonds (distance) P-C4' energy: -126.813 flat angles C4'-P-C4' energy: -140.769 flat angles P-C4'-P energy: -91.100 tors. eta vs tors. theta energy: -216.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2278.156683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.156683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.156683 (E_RNA) where: Base-Base interactions energy: -1595.770 where: short stacking energy: -675.718 Base-Backbone interact. energy: -2.418 local terms energy: -679.968336 where: bonds (distance) C4'-P energy: -121.734 bonds (distance) P-C4' energy: -108.712 flat angles C4'-P-C4' energy: -147.050 flat angles P-C4'-P energy: -99.969 tors. eta vs tors. theta energy: -202.503 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: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2146.125317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.125317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.125317 (E_RNA) where: Base-Base interactions energy: -1563.561 where: short stacking energy: -640.013 Base-Backbone interact. energy: -2.036 local terms energy: -580.528427 where: bonds (distance) C4'-P energy: -85.259 bonds (distance) P-C4' energy: -90.765 flat angles C4'-P-C4' energy: -131.259 flat angles P-C4'-P energy: -83.719 tors. eta vs tors. theta energy: -189.526 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: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -2089.363155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.363155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.363155 (E_RNA) where: Base-Base interactions energy: -1512.335 where: short stacking energy: -606.711 Base-Backbone interact. energy: -2.070 local terms energy: -574.958856 where: bonds (distance) C4'-P energy: -84.531 bonds (distance) P-C4' energy: -97.917 flat angles C4'-P-C4' energy: -138.133 flat angles P-C4'-P energy: -84.190 tors. eta vs tors. theta energy: -170.187 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: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1980.022305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.022305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.022305 (E_RNA) where: Base-Base interactions energy: -1411.093 where: short stacking energy: -578.902 Base-Backbone interact. energy: 1.335 local terms energy: -570.264443 where: bonds (distance) C4'-P energy: -98.143 bonds (distance) P-C4' energy: -100.422 flat angles C4'-P-C4' energy: -126.969 flat angles P-C4'-P energy: -86.051 tors. eta vs tors. theta energy: -158.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -773.725856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.725856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.725856 (E_RNA) where: Base-Base interactions energy: -420.434 where: short stacking energy: -242.103 Base-Backbone interact. energy: -1.657 local terms energy: -351.635004 where: bonds (distance) C4'-P energy: -97.335 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -90.583 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2665.000986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.000986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.000986 (E_RNA) where: Base-Base interactions energy: -1871.503 where: short stacking energy: -750.539 Base-Backbone interact. energy: -0.261 local terms energy: -793.236470 where: bonds (distance) C4'-P energy: -145.457 bonds (distance) P-C4' energy: -148.450 flat angles C4'-P-C4' energy: -162.991 flat angles P-C4'-P energy: -111.084 tors. eta vs tors. theta energy: -225.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2638.905448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.905448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.905448 (E_RNA) where: Base-Base interactions energy: -1886.550 where: short stacking energy: -776.158 Base-Backbone interact. energy: 1.115 local terms energy: -753.470543 where: bonds (distance) C4'-P energy: -108.363 bonds (distance) P-C4' energy: -132.050 flat angles C4'-P-C4' energy: -160.033 flat angles P-C4'-P energy: -115.063 tors. eta vs tors. theta energy: -237.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2528.959970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.959970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.959970 (E_RNA) where: Base-Base interactions energy: -1787.960 where: short stacking energy: -749.576 Base-Backbone interact. energy: -2.100 local terms energy: -738.899802 where: bonds (distance) C4'-P energy: -126.730 bonds (distance) P-C4' energy: -123.457 flat angles C4'-P-C4' energy: -159.138 flat angles P-C4'-P energy: -104.858 tors. eta vs tors. theta energy: -224.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2458.864241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.864241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.864241 (E_RNA) where: Base-Base interactions energy: -1732.102 where: short stacking energy: -716.684 Base-Backbone interact. energy: -0.821 local terms energy: -725.940463 where: bonds (distance) C4'-P energy: -134.614 bonds (distance) P-C4' energy: -128.708 flat angles C4'-P-C4' energy: -139.307 flat angles P-C4'-P energy: -99.080 tors. eta vs tors. theta energy: -224.231 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: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2391.702605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.702605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.702605 (E_RNA) where: Base-Base interactions energy: -1694.590 where: short stacking energy: -705.582 Base-Backbone interact. energy: -1.627 local terms energy: -695.485805 where: bonds (distance) C4'-P energy: -117.939 bonds (distance) P-C4' energy: -128.280 flat angles C4'-P-C4' energy: -144.429 flat angles P-C4'-P energy: -95.107 tors. eta vs tors. theta energy: -209.730 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: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2262.551855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.551855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.551855 (E_RNA) where: Base-Base interactions energy: -1589.671 where: short stacking energy: -660.278 Base-Backbone interact. energy: -0.259 local terms energy: -672.621733 where: bonds (distance) C4'-P energy: -115.108 bonds (distance) P-C4' energy: -130.966 flat angles C4'-P-C4' energy: -125.280 flat angles P-C4'-P energy: -106.155 tors. eta vs tors. theta energy: -195.113 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: 308 Temperature: 1.200000 Total energy: -2174.247088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.247088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.247088 (E_RNA) where: Base-Base interactions energy: -1541.668 where: short stacking energy: -622.818 Base-Backbone interact. energy: 1.188 local terms energy: -633.767592 where: bonds (distance) C4'-P energy: -101.529 bonds (distance) P-C4' energy: -114.760 flat angles C4'-P-C4' energy: -136.168 flat angles P-C4'-P energy: -94.803 tors. eta vs tors. theta energy: -186.507 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: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -2065.808997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.808997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.808997 (E_RNA) where: Base-Base interactions energy: -1463.315 where: short stacking energy: -604.448 Base-Backbone interact. energy: -0.939 local terms energy: -601.555011 where: bonds (distance) C4'-P energy: -109.063 bonds (distance) P-C4' energy: -102.413 flat angles C4'-P-C4' energy: -119.473 flat angles P-C4'-P energy: -91.072 tors. eta vs tors. theta energy: -179.533 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: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1961.475463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.475463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.475463 (E_RNA) where: Base-Base interactions energy: -1400.154 where: short stacking energy: -591.720 Base-Backbone interact. energy: -1.340 local terms energy: -559.981743 where: bonds (distance) C4'-P energy: -84.631 bonds (distance) P-C4' energy: -94.363 flat angles C4'-P-C4' energy: -127.237 flat angles P-C4'-P energy: -90.675 tors. eta vs tors. theta energy: -163.076 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: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -846.889249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.889249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.889249 (E_RNA) where: Base-Base interactions energy: -487.825 where: short stacking energy: -228.350 Base-Backbone interact. energy: 7.239 local terms energy: -366.303411 where: bonds (distance) C4'-P energy: -102.295 bonds (distance) P-C4' energy: -91.851 flat angles C4'-P-C4' energy: -102.569 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -10.294 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: 309 Temperature: 0.900000 Total energy: -2657.842191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.842191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.842191 (E_RNA) where: Base-Base interactions energy: -1911.238 where: short stacking energy: -780.758 Base-Backbone interact. energy: -0.581 local terms energy: -746.023499 where: bonds (distance) C4'-P energy: -117.749 bonds (distance) P-C4' energy: -139.188 flat angles C4'-P-C4' energy: -149.898 flat angles P-C4'-P energy: -101.019 tors. eta vs tors. theta energy: -238.171 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: 2, replica: 9 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2623.267076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.267076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.267076 (E_RNA) where: Base-Base interactions energy: -1867.821 where: short stacking energy: -737.700 Base-Backbone interact. energy: -2.991 local terms energy: -752.454292 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -130.221 flat angles C4'-P-C4' energy: -144.261 flat angles P-C4'-P energy: -111.640 tors. eta vs tors. theta energy: -236.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2500.562864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.562864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.562864 (E_RNA) where: Base-Base interactions energy: -1768.586 where: short stacking energy: -720.985 Base-Backbone interact. energy: -4.996 local terms energy: -726.981011 where: bonds (distance) C4'-P energy: -118.630 bonds (distance) P-C4' energy: -131.903 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -101.940 tors. eta vs tors. theta energy: -217.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2462.637554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.637554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.637554 (E_RNA) where: Base-Base interactions energy: -1730.686 where: short stacking energy: -724.011 Base-Backbone interact. energy: -0.578 local terms energy: -731.372906 where: bonds (distance) C4'-P energy: -135.661 bonds (distance) P-C4' energy: -115.472 flat angles C4'-P-C4' energy: -151.235 flat angles P-C4'-P energy: -101.555 tors. eta vs tors. theta energy: -227.451 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: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2368.384832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.384832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.384832 (E_RNA) where: Base-Base interactions energy: -1669.280 where: short stacking energy: -672.997 Base-Backbone interact. energy: 3.104 local terms energy: -702.209146 where: bonds (distance) C4'-P energy: -127.753 bonds (distance) P-C4' energy: -120.115 flat angles C4'-P-C4' energy: -140.556 flat angles P-C4'-P energy: -103.503 tors. eta vs tors. theta energy: -210.282 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: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2283.925911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.925911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.925911 (E_RNA) where: Base-Base interactions energy: -1625.275 where: short stacking energy: -661.755 Base-Backbone interact. energy: -3.385 local terms energy: -655.265823 where: bonds (distance) C4'-P energy: -120.167 bonds (distance) P-C4' energy: -111.263 flat angles C4'-P-C4' energy: -134.660 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -190.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2149.774848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.774848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.774848 (E_RNA) where: Base-Base interactions energy: -1537.821 where: short stacking energy: -625.095 Base-Backbone interact. energy: -1.742 local terms energy: -610.212116 where: bonds (distance) C4'-P energy: -109.643 bonds (distance) P-C4' energy: -110.838 flat angles C4'-P-C4' energy: -115.745 flat angles P-C4'-P energy: -91.578 tors. eta vs tors. theta energy: -182.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -2050.139324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.139324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.139324 (E_RNA) where: Base-Base interactions energy: -1485.180 where: short stacking energy: -594.880 Base-Backbone interact. energy: -1.635 local terms energy: -563.324666 where: bonds (distance) C4'-P energy: -102.932 bonds (distance) P-C4' energy: -94.914 flat angles C4'-P-C4' energy: -124.325 flat angles P-C4'-P energy: -77.236 tors. eta vs tors. theta energy: -163.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1973.677959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.677959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.677959 (E_RNA) where: Base-Base interactions energy: -1378.489 where: short stacking energy: -551.900 Base-Backbone interact. energy: 2.576 local terms energy: -597.764716 where: bonds (distance) C4'-P energy: -95.940 bonds (distance) P-C4' energy: -111.011 flat angles C4'-P-C4' energy: -137.569 flat angles P-C4'-P energy: -86.249 tors. eta vs tors. theta energy: -166.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -918.405534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.405534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.405534 (E_RNA) where: Base-Base interactions energy: -529.911 where: short stacking energy: -269.296 Base-Backbone interact. energy: 0.578 local terms energy: -389.073362 where: bonds (distance) C4'-P energy: -112.407 bonds (distance) P-C4' energy: -114.107 flat angles C4'-P-C4' energy: -97.204 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -18.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2650.949704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.949704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.949704 (E_RNA) where: Base-Base interactions energy: -1884.232 where: short stacking energy: -767.712 Base-Backbone interact. energy: 1.243 local terms energy: -767.960400 where: bonds (distance) C4'-P energy: -137.683 bonds (distance) P-C4' energy: -139.435 flat angles C4'-P-C4' energy: -152.741 flat angles P-C4'-P energy: -104.023 tors. eta vs tors. theta energy: -234.079 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: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2638.199954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.199954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.199954 (E_RNA) where: Base-Base interactions energy: -1878.696 where: short stacking energy: -753.912 Base-Backbone interact. energy: 0.417 local terms energy: -759.921053 where: bonds (distance) C4'-P energy: -136.061 bonds (distance) P-C4' energy: -129.558 flat angles C4'-P-C4' energy: -148.006 flat angles P-C4'-P energy: -110.603 tors. eta vs tors. theta energy: -235.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2502.819490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.819490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.819490 (E_RNA) where: Base-Base interactions energy: -1772.779 where: short stacking energy: -743.029 Base-Backbone interact. energy: -0.662 local terms energy: -729.377744 where: bonds (distance) C4'-P energy: -109.727 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -152.720 flat angles P-C4'-P energy: -110.267 tors. eta vs tors. theta energy: -228.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2488.518574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.518574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.518574 (E_RNA) where: Base-Base interactions energy: -1779.154 where: short stacking energy: -740.446 Base-Backbone interact. energy: -1.106 local terms energy: -708.258163 where: bonds (distance) C4'-P energy: -118.851 bonds (distance) P-C4' energy: -117.092 flat angles C4'-P-C4' energy: -138.055 flat angles P-C4'-P energy: -111.107 tors. eta vs tors. theta energy: -223.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2355.859306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.859306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.859306 (E_RNA) where: Base-Base interactions energy: -1693.334 where: short stacking energy: -684.275 Base-Backbone interact. energy: -0.526 local terms energy: -661.999759 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -117.236 flat angles C4'-P-C4' energy: -136.549 flat angles P-C4'-P energy: -83.091 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: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2318.768455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.768455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.768455 (E_RNA) where: Base-Base interactions energy: -1667.442 where: short stacking energy: -677.903 Base-Backbone interact. energy: 1.138 local terms energy: -652.463609 where: bonds (distance) C4'-P energy: -113.999 bonds (distance) P-C4' energy: -107.906 flat angles C4'-P-C4' energy: -130.485 flat angles P-C4'-P energy: -77.210 tors. eta vs tors. theta energy: -222.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2145.683145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.683145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.683145 (E_RNA) where: Base-Base interactions energy: -1482.713 where: short stacking energy: -615.505 Base-Backbone interact. energy: -2.689 local terms energy: -660.281420 where: bonds (distance) C4'-P energy: -123.021 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -141.245 flat angles P-C4'-P energy: -89.840 tors. eta vs tors. theta energy: -184.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -2107.025407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.025407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.025407 (E_RNA) where: Base-Base interactions energy: -1510.449 where: short stacking energy: -611.824 Base-Backbone interact. energy: 1.306 local terms energy: -597.881894 where: bonds (distance) C4'-P energy: -90.798 bonds (distance) P-C4' energy: -98.602 flat angles C4'-P-C4' energy: -131.792 flat angles P-C4'-P energy: -97.067 tors. eta vs tors. theta energy: -179.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1947.109116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.109116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.109116 (E_RNA) where: Base-Base interactions energy: -1377.478 where: short stacking energy: -559.269 Base-Backbone interact. energy: 0.757 local terms energy: -570.388129 where: bonds (distance) C4'-P energy: -95.966 bonds (distance) P-C4' energy: -108.518 flat angles C4'-P-C4' energy: -124.977 flat angles P-C4'-P energy: -73.450 tors. eta vs tors. theta energy: -167.478 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: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -889.513002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.513002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.513002 (E_RNA) where: Base-Base interactions energy: -529.359 where: short stacking energy: -259.706 Base-Backbone interact. energy: 2.445 local terms energy: -362.598852 where: bonds (distance) C4'-P energy: -94.565 bonds (distance) P-C4' energy: -115.246 flat angles C4'-P-C4' energy: -87.730 flat angles P-C4'-P energy: -45.358 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: 311 Temperature: 0.900000 Total energy: -2673.702159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.702159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.702159 (E_RNA) where: Base-Base interactions energy: -1905.957 where: short stacking energy: -769.515 Base-Backbone interact. energy: 0.337 local terms energy: -768.082631 where: bonds (distance) C4'-P energy: -126.057 bonds (distance) P-C4' energy: -134.654 flat angles C4'-P-C4' energy: -149.087 flat angles P-C4'-P energy: -119.079 tors. eta vs tors. theta energy: -239.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2639.333489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.333489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.333489 (E_RNA) where: Base-Base interactions energy: -1866.791 where: short stacking energy: -742.176 Base-Backbone interact. energy: -1.180 local terms energy: -771.362406 where: bonds (distance) C4'-P energy: -134.197 bonds (distance) P-C4' energy: -138.368 flat angles C4'-P-C4' energy: -148.444 flat angles P-C4'-P energy: -117.334 tors. eta vs tors. theta energy: -233.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2495.436631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.436631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.436631 (E_RNA) where: Base-Base interactions energy: -1768.927 where: short stacking energy: -741.118 Base-Backbone interact. energy: -0.388 local terms energy: -726.121831 where: bonds (distance) C4'-P energy: -126.964 bonds (distance) P-C4' energy: -121.521 flat angles C4'-P-C4' energy: -145.971 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -231.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2482.308171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.308171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.308171 (E_RNA) where: Base-Base interactions energy: -1767.792 where: short stacking energy: -708.491 Base-Backbone interact. energy: 0.814 local terms energy: -715.329920 where: bonds (distance) C4'-P energy: -132.353 bonds (distance) P-C4' energy: -122.175 flat angles C4'-P-C4' energy: -150.492 flat angles P-C4'-P energy: -98.910 tors. eta vs tors. theta energy: -211.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2370.823146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.823146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.823146 (E_RNA) where: Base-Base interactions energy: -1691.508 where: short stacking energy: -698.254 Base-Backbone interact. energy: 2.680 local terms energy: -681.995100 where: bonds (distance) C4'-P energy: -115.603 bonds (distance) P-C4' energy: -108.985 flat angles C4'-P-C4' energy: -160.183 flat angles P-C4'-P energy: -92.274 tors. eta vs tors. theta energy: -204.950 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: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2334.093962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.093962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.093962 (E_RNA) where: Base-Base interactions energy: -1657.804 where: short stacking energy: -694.900 Base-Backbone interact. energy: -1.396 local terms energy: -674.894098 where: bonds (distance) C4'-P energy: -126.029 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -141.105 flat angles P-C4'-P energy: -75.553 tors. eta vs tors. theta energy: -212.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2160.617494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.617494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.617494 (E_RNA) where: Base-Base interactions energy: -1557.821 where: short stacking energy: -631.901 Base-Backbone interact. energy: -1.791 local terms energy: -601.005492 where: bonds (distance) C4'-P energy: -126.966 bonds (distance) P-C4' energy: -102.004 flat angles C4'-P-C4' energy: -114.091 flat angles P-C4'-P energy: -59.681 tors. eta vs tors. theta energy: -198.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -2075.897955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.897955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.897955 (E_RNA) where: Base-Base interactions energy: -1478.049 where: short stacking energy: -603.116 Base-Backbone interact. energy: -0.768 local terms energy: -597.081654 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -110.674 flat angles C4'-P-C4' energy: -130.007 flat angles P-C4'-P energy: -87.787 tors. eta vs tors. theta energy: -169.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1958.776886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.776886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.776886 (E_RNA) where: Base-Base interactions energy: -1383.264 where: short stacking energy: -552.990 Base-Backbone interact. energy: 5.387 local terms energy: -580.900153 where: bonds (distance) C4'-P energy: -117.669 bonds (distance) P-C4' energy: -108.195 flat angles C4'-P-C4' energy: -124.523 flat angles P-C4'-P energy: -83.878 tors. eta vs tors. theta energy: -146.636 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: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -888.874186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.874186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.874186 (E_RNA) where: Base-Base interactions energy: -519.479 where: short stacking energy: -260.242 Base-Backbone interact. energy: 0.906 local terms energy: -370.300853 where: bonds (distance) C4'-P energy: -102.107 bonds (distance) P-C4' energy: -104.611 flat angles C4'-P-C4' energy: -101.406 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -12.441 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: 312 Temperature: 0.900000 Total energy: -2685.321198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.321198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.321198 (E_RNA) where: Base-Base interactions energy: -1906.056 where: short stacking energy: -772.594 Base-Backbone interact. energy: -3.673 local terms energy: -775.592289 where: bonds (distance) C4'-P energy: -135.836 bonds (distance) P-C4' energy: -130.604 flat angles C4'-P-C4' energy: -163.645 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -236.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2637.465836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.465836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.465836 (E_RNA) where: Base-Base interactions energy: -1877.211 where: short stacking energy: -774.932 Base-Backbone interact. energy: -0.826 local terms energy: -759.428708 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -116.788 flat angles C4'-P-C4' energy: -156.552 flat angles P-C4'-P energy: -105.335 tors. eta vs tors. theta energy: -239.484 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: 10 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2508.340165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.340165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.340165 (E_RNA) where: Base-Base interactions energy: -1775.918 where: short stacking energy: -725.111 Base-Backbone interact. energy: -3.071 local terms energy: -729.350626 where: bonds (distance) C4'-P energy: -125.898 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -164.495 flat angles P-C4'-P energy: -97.042 tors. eta vs tors. theta energy: -226.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2443.435855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.435855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.435855 (E_RNA) where: Base-Base interactions energy: -1726.047 where: short stacking energy: -706.564 Base-Backbone interact. energy: -1.466 local terms energy: -715.923467 where: bonds (distance) C4'-P energy: -117.380 bonds (distance) P-C4' energy: -120.082 flat angles C4'-P-C4' energy: -142.663 flat angles P-C4'-P energy: -120.295 tors. eta vs tors. theta energy: -215.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2386.417953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.417953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.417953 (E_RNA) where: Base-Base interactions energy: -1696.268 where: short stacking energy: -695.420 Base-Backbone interact. energy: -0.407 local terms energy: -689.743670 where: bonds (distance) C4'-P energy: -110.104 bonds (distance) P-C4' energy: -105.642 flat angles C4'-P-C4' energy: -151.917 flat angles P-C4'-P energy: -106.476 tors. eta vs tors. theta energy: -215.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2280.029223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.029223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.029223 (E_RNA) where: Base-Base interactions energy: -1595.398 where: short stacking energy: -636.085 Base-Backbone interact. energy: 0.999 local terms energy: -685.630430 where: bonds (distance) C4'-P energy: -131.161 bonds (distance) P-C4' energy: -114.500 flat angles C4'-P-C4' energy: -143.149 flat angles P-C4'-P energy: -97.552 tors. eta vs tors. theta energy: -199.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2140.771689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.771689 (E_RNA) where: Base-Base interactions energy: -1547.319 where: short stacking energy: -610.377 Base-Backbone interact. energy: -3.077 local terms energy: -590.375564 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -113.759 flat angles C4'-P-C4' energy: -134.419 flat angles P-C4'-P energy: -73.972 tors. eta vs tors. theta energy: -183.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -2095.849530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.849530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.849530 (E_RNA) where: Base-Base interactions energy: -1479.374 where: short stacking energy: -589.971 Base-Backbone interact. energy: -1.196 local terms energy: -615.279757 where: bonds (distance) C4'-P energy: -108.913 bonds (distance) P-C4' energy: -103.935 flat angles C4'-P-C4' energy: -138.414 flat angles P-C4'-P energy: -77.573 tors. eta vs tors. theta energy: -186.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1875.812193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.812193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.812193 (E_RNA) where: Base-Base interactions energy: -1330.032 where: short stacking energy: -578.387 Base-Backbone interact. energy: -2.844 local terms energy: -542.936990 where: bonds (distance) C4'-P energy: -98.776 bonds (distance) P-C4' energy: -94.417 flat angles C4'-P-C4' energy: -118.552 flat angles P-C4'-P energy: -75.039 tors. eta vs tors. theta energy: -156.152 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: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -828.285208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.285208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.285208 (E_RNA) where: Base-Base interactions energy: -418.807 where: short stacking energy: -227.473 Base-Backbone interact. energy: -4.531 local terms energy: -404.946397 where: bonds (distance) C4'-P energy: -97.307 bonds (distance) P-C4' energy: -114.406 flat angles C4'-P-C4' energy: -111.562 flat angles P-C4'-P energy: -72.738 tors. eta vs tors. theta energy: -8.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2654.131762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.131762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.131762 (E_RNA) where: Base-Base interactions energy: -1875.584 where: short stacking energy: -774.919 Base-Backbone interact. energy: -2.200 local terms energy: -776.348350 where: bonds (distance) C4'-P energy: -133.061 bonds (distance) P-C4' energy: -142.664 flat angles C4'-P-C4' energy: -149.252 flat angles P-C4'-P energy: -117.878 tors. eta vs tors. theta energy: -233.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2601.099973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.099973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.099973 (E_RNA) where: Base-Base interactions energy: -1846.701 where: short stacking energy: -746.264 Base-Backbone interact. energy: 1.267 local terms energy: -755.665269 where: bonds (distance) C4'-P energy: -134.356 bonds (distance) P-C4' energy: -128.726 flat angles C4'-P-C4' energy: -148.249 flat angles P-C4'-P energy: -108.532 tors. eta vs tors. theta energy: -235.802 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: 3, replica: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2557.381570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.381570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.381570 (E_RNA) where: Base-Base interactions energy: -1801.142 where: short stacking energy: -740.640 Base-Backbone interact. energy: -4.425 local terms energy: -751.814774 where: bonds (distance) C4'-P energy: -111.056 bonds (distance) P-C4' energy: -138.380 flat angles C4'-P-C4' energy: -160.588 flat angles P-C4'-P energy: -118.832 tors. eta vs tors. theta energy: -222.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2472.097099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.097099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.097099 (E_RNA) where: Base-Base interactions energy: -1758.881 where: short stacking energy: -740.870 Base-Backbone interact. energy: -2.655 local terms energy: -710.560523 where: bonds (distance) C4'-P energy: -108.080 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -149.933 flat angles P-C4'-P energy: -112.765 tors. eta vs tors. theta energy: -225.994 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: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2393.891536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.891536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.891536 (E_RNA) where: Base-Base interactions energy: -1680.317 where: short stacking energy: -695.681 Base-Backbone interact. energy: -0.892 local terms energy: -712.682312 where: bonds (distance) C4'-P energy: -124.571 bonds (distance) P-C4' energy: -116.687 flat angles C4'-P-C4' energy: -156.071 flat angles P-C4'-P energy: -93.708 tors. eta vs tors. theta energy: -221.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2317.582240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.582240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.582240 (E_RNA) where: Base-Base interactions energy: -1674.463 where: short stacking energy: -674.135 Base-Backbone interact. energy: -0.027 local terms energy: -643.092466 where: bonds (distance) C4'-P energy: -96.981 bonds (distance) P-C4' energy: -104.701 flat angles C4'-P-C4' energy: -135.940 flat angles P-C4'-P energy: -103.368 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: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2106.450552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.450552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.450552 (E_RNA) where: Base-Base interactions energy: -1505.848 where: short stacking energy: -609.589 Base-Backbone interact. energy: 0.022 local terms energy: -600.624630 where: bonds (distance) C4'-P energy: -114.178 bonds (distance) P-C4' energy: -115.440 flat angles C4'-P-C4' energy: -128.223 flat angles P-C4'-P energy: -67.358 tors. eta vs tors. theta energy: -175.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -2110.169599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.169599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.169599 (E_RNA) where: Base-Base interactions energy: -1509.035 where: short stacking energy: -604.147 Base-Backbone interact. energy: 1.619 local terms energy: -602.753849 where: bonds (distance) C4'-P energy: -106.820 bonds (distance) P-C4' energy: -108.335 flat angles C4'-P-C4' energy: -134.934 flat angles P-C4'-P energy: -75.013 tors. eta vs tors. theta energy: -177.652 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: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1886.063223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.063223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.063223 (E_RNA) where: Base-Base interactions energy: -1339.388 where: short stacking energy: -551.572 Base-Backbone interact. energy: -3.972 local terms energy: -542.703634 where: bonds (distance) C4'-P energy: -91.820 bonds (distance) P-C4' energy: -111.354 flat angles C4'-P-C4' energy: -111.373 flat angles P-C4'-P energy: -78.027 tors. eta vs tors. theta energy: -150.129 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: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -813.662968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.662968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.662968 (E_RNA) where: Base-Base interactions energy: -436.517 where: short stacking energy: -234.538 Base-Backbone interact. energy: 3.051 local terms energy: -380.196887 where: bonds (distance) C4'-P energy: -109.650 bonds (distance) P-C4' energy: -100.308 flat angles C4'-P-C4' energy: -99.185 flat angles P-C4'-P energy: -72.489 tors. eta vs tors. theta energy: 1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2642.372759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.372759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.372759 (E_RNA) where: Base-Base interactions energy: -1878.413 where: short stacking energy: -764.509 Base-Backbone interact. energy: -0.798 local terms energy: -763.162652 where: bonds (distance) C4'-P energy: -135.125 bonds (distance) P-C4' energy: -133.766 flat angles C4'-P-C4' energy: -166.886 flat angles P-C4'-P energy: -98.239 tors. eta vs tors. theta energy: -229.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2618.075309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.075309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.075309 (E_RNA) where: Base-Base interactions energy: -1889.788 where: short stacking energy: -765.625 Base-Backbone interact. energy: 2.783 local terms energy: -731.070002 where: bonds (distance) C4'-P energy: -129.956 bonds (distance) P-C4' energy: -113.955 flat angles C4'-P-C4' energy: -147.148 flat angles P-C4'-P energy: -105.925 tors. eta vs tors. theta energy: -234.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2500.970531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.970531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.970531 (E_RNA) where: Base-Base interactions energy: -1783.793 where: short stacking energy: -730.912 Base-Backbone interact. energy: 1.892 local terms energy: -719.069747 where: bonds (distance) C4'-P energy: -125.553 bonds (distance) P-C4' energy: -131.024 flat angles C4'-P-C4' energy: -146.165 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -221.839 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: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2490.454318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.454318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.454318 (E_RNA) where: Base-Base interactions energy: -1768.285 where: short stacking energy: -724.071 Base-Backbone interact. energy: -3.929 local terms energy: -718.240010 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -124.273 flat angles C4'-P-C4' energy: -155.987 flat angles P-C4'-P energy: -97.753 tors. eta vs tors. theta energy: -232.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2384.801063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.801063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.801063 (E_RNA) where: Base-Base interactions energy: -1676.383 where: short stacking energy: -697.924 Base-Backbone interact. energy: 0.811 local terms energy: -709.229141 where: bonds (distance) C4'-P energy: -118.906 bonds (distance) P-C4' energy: -129.954 flat angles C4'-P-C4' energy: -142.753 flat angles P-C4'-P energy: -98.531 tors. eta vs tors. theta energy: -219.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2298.973989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.973989 (E_RNA) where: Base-Base interactions energy: -1618.336 where: short stacking energy: -647.674 Base-Backbone interact. energy: 4.126 local terms energy: -684.763629 where: bonds (distance) C4'-P energy: -114.004 bonds (distance) P-C4' energy: -125.470 flat angles C4'-P-C4' energy: -140.406 flat angles P-C4'-P energy: -105.727 tors. eta vs tors. theta energy: -199.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2140.977261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.977261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.977261 (E_RNA) where: Base-Base interactions energy: -1532.389 where: short stacking energy: -619.392 Base-Backbone interact. energy: 0.476 local terms energy: -609.064669 where: bonds (distance) C4'-P energy: -105.746 bonds (distance) P-C4' energy: -114.630 flat angles C4'-P-C4' energy: -127.222 flat angles P-C4'-P energy: -84.258 tors. eta vs tors. theta energy: -177.208 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: 314 Temperature: 1.250000 Total energy: -2120.847903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.847903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.847903 (E_RNA) where: Base-Base interactions energy: -1515.165 where: short stacking energy: -638.169 Base-Backbone interact. energy: -1.154 local terms energy: -604.528795 where: bonds (distance) C4'-P energy: -87.862 bonds (distance) P-C4' energy: -108.121 flat angles C4'-P-C4' energy: -134.659 flat angles P-C4'-P energy: -83.307 tors. eta vs tors. theta energy: -190.580 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: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1895.082519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.082519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.082519 (E_RNA) where: Base-Base interactions energy: -1325.332 where: short stacking energy: -524.430 Base-Backbone interact. energy: -1.715 local terms energy: -568.036380 where: bonds (distance) C4'-P energy: -110.043 bonds (distance) P-C4' energy: -103.254 flat angles C4'-P-C4' energy: -114.002 flat angles P-C4'-P energy: -83.929 tors. eta vs tors. theta energy: -156.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -806.814052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.814052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.814052 (E_RNA) where: Base-Base interactions energy: -413.984 where: short stacking energy: -225.982 Base-Backbone interact. energy: -2.718 local terms energy: -390.112722 where: bonds (distance) C4'-P energy: -110.935 bonds (distance) P-C4' energy: -108.063 flat angles C4'-P-C4' energy: -105.794 flat angles P-C4'-P energy: -57.740 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2691.472273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.472273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.472273 (E_RNA) where: Base-Base interactions energy: -1905.968 where: short stacking energy: -782.507 Base-Backbone interact. energy: -3.040 local terms energy: -782.463845 where: bonds (distance) C4'-P energy: -137.732 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -158.439 flat angles P-C4'-P energy: -116.487 tors. eta vs tors. theta energy: -235.245 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: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2659.133649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.133649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.133649 (E_RNA) where: Base-Base interactions energy: -1905.157 where: short stacking energy: -765.325 Base-Backbone interact. energy: 7.154 local terms energy: -761.131072 where: bonds (distance) C4'-P energy: -120.730 bonds (distance) P-C4' energy: -132.298 flat angles C4'-P-C4' energy: -159.732 flat angles P-C4'-P energy: -114.446 tors. eta vs tors. theta energy: -233.925 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: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2486.621271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.621271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.621271 (E_RNA) where: Base-Base interactions energy: -1757.286 where: short stacking energy: -717.042 Base-Backbone interact. energy: 0.422 local terms energy: -729.756808 where: bonds (distance) C4'-P energy: -122.668 bonds (distance) P-C4' energy: -121.674 flat angles C4'-P-C4' energy: -164.187 flat angles P-C4'-P energy: -104.830 tors. eta vs tors. theta energy: -216.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2503.562402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.562402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.562402 (E_RNA) where: Base-Base interactions energy: -1776.563 where: short stacking energy: -730.645 Base-Backbone interact. energy: 2.775 local terms energy: -729.774795 where: bonds (distance) C4'-P energy: -123.286 bonds (distance) P-C4' energy: -123.794 flat angles C4'-P-C4' energy: -156.339 flat angles P-C4'-P energy: -98.853 tors. eta vs tors. theta energy: -227.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2361.453791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.453791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.453791 (E_RNA) where: Base-Base interactions energy: -1663.911 where: short stacking energy: -684.491 Base-Backbone interact. energy: 1.584 local terms energy: -699.127099 where: bonds (distance) C4'-P energy: -121.387 bonds (distance) P-C4' energy: -128.923 flat angles C4'-P-C4' energy: -130.630 flat angles P-C4'-P energy: -94.793 tors. eta vs tors. theta energy: -223.394 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: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2290.722629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.722629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.722629 (E_RNA) where: Base-Base interactions energy: -1621.255 where: short stacking energy: -656.553 Base-Backbone interact. energy: -0.743 local terms energy: -668.724845 where: bonds (distance) C4'-P energy: -103.487 bonds (distance) P-C4' energy: -132.886 flat angles C4'-P-C4' energy: -145.509 flat angles P-C4'-P energy: -76.711 tors. eta vs tors. theta energy: -210.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2180.268962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.268962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.268962 (E_RNA) where: Base-Base interactions energy: -1558.174 where: short stacking energy: -620.525 Base-Backbone interact. energy: -0.730 local terms energy: -621.364891 where: bonds (distance) C4'-P energy: -98.050 bonds (distance) P-C4' energy: -113.659 flat angles C4'-P-C4' energy: -135.007 flat angles P-C4'-P energy: -90.013 tors. eta vs tors. theta energy: -184.636 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: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -2171.608146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.608146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.608146 (E_RNA) where: Base-Base interactions energy: -1534.776 where: short stacking energy: -637.751 Base-Backbone interact. energy: 2.216 local terms energy: -639.048508 where: bonds (distance) C4'-P energy: -105.129 bonds (distance) P-C4' energy: -123.073 flat angles C4'-P-C4' energy: -139.708 flat angles P-C4'-P energy: -95.104 tors. eta vs tors. theta energy: -176.035 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: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1946.912362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.912362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.912362 (E_RNA) where: Base-Base interactions energy: -1365.678 where: short stacking energy: -553.565 Base-Backbone interact. energy: -0.440 local terms energy: -580.794261 where: bonds (distance) C4'-P energy: -107.520 bonds (distance) P-C4' energy: -105.556 flat angles C4'-P-C4' energy: -126.283 flat angles P-C4'-P energy: -90.777 tors. eta vs tors. theta energy: -150.658 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: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -800.174209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.174209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.174209 (E_RNA) where: Base-Base interactions energy: -409.138 where: short stacking energy: -215.212 Base-Backbone interact. energy: -0.745 local terms energy: -390.290607 where: bonds (distance) C4'-P energy: -103.054 bonds (distance) P-C4' energy: -120.388 flat angles C4'-P-C4' energy: -89.957 flat angles P-C4'-P energy: -67.352 tors. eta vs tors. theta energy: -9.539 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: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2646.756643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.756643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.756643 (E_RNA) where: Base-Base interactions energy: -1875.631 where: short stacking energy: -769.416 Base-Backbone interact. energy: -2.675 local terms energy: -768.450641 where: bonds (distance) C4'-P energy: -135.100 bonds (distance) P-C4' energy: -130.238 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -110.071 tors. eta vs tors. theta energy: -235.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2632.263472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.263472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.263472 (E_RNA) where: Base-Base interactions energy: -1865.599 where: short stacking energy: -746.347 Base-Backbone interact. energy: -3.612 local terms energy: -763.052981 where: bonds (distance) C4'-P energy: -120.379 bonds (distance) P-C4' energy: -137.809 flat angles C4'-P-C4' energy: -169.329 flat angles P-C4'-P energy: -99.468 tors. eta vs tors. theta energy: -236.069 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: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2558.334823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.334823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.334823 (E_RNA) where: Base-Base interactions energy: -1819.365 where: short stacking energy: -750.057 Base-Backbone interact. energy: -3.910 local terms energy: -735.060412 where: bonds (distance) C4'-P energy: -115.248 bonds (distance) P-C4' energy: -134.871 flat angles C4'-P-C4' energy: -153.560 flat angles P-C4'-P energy: -105.013 tors. eta vs tors. theta energy: -226.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2431.959683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.959683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.959683 (E_RNA) where: Base-Base interactions energy: -1699.967 where: short stacking energy: -691.450 Base-Backbone interact. energy: -0.862 local terms energy: -731.130508 where: bonds (distance) C4'-P energy: -132.042 bonds (distance) P-C4' energy: -123.900 flat angles C4'-P-C4' energy: -148.768 flat angles P-C4'-P energy: -111.025 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: 5, replica: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2350.544698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.544698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.544698 (E_RNA) where: Base-Base interactions energy: -1632.116 where: short stacking energy: -696.549 Base-Backbone interact. energy: 2.595 local terms energy: -721.023120 where: bonds (distance) C4'-P energy: -110.767 bonds (distance) P-C4' energy: -136.455 flat angles C4'-P-C4' energy: -154.749 flat angles P-C4'-P energy: -98.379 tors. eta vs tors. theta energy: -220.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2249.345624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.345624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.345624 (E_RNA) where: Base-Base interactions energy: -1577.879 where: short stacking energy: -672.816 Base-Backbone interact. energy: -3.155 local terms energy: -668.311418 where: bonds (distance) C4'-P energy: -98.949 bonds (distance) P-C4' energy: -119.868 flat angles C4'-P-C4' energy: -149.073 flat angles P-C4'-P energy: -104.716 tors. eta vs tors. theta energy: -195.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2152.903787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.903787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.903787 (E_RNA) where: Base-Base interactions energy: -1521.214 where: short stacking energy: -631.248 Base-Backbone interact. energy: -0.924 local terms energy: -630.765772 where: bonds (distance) C4'-P energy: -119.865 bonds (distance) P-C4' energy: -107.965 flat angles C4'-P-C4' energy: -149.327 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -170.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -2121.984133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.984133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.984133 (E_RNA) where: Base-Base interactions energy: -1513.220 where: short stacking energy: -624.026 Base-Backbone interact. energy: -2.433 local terms energy: -606.331171 where: bonds (distance) C4'-P energy: -86.940 bonds (distance) P-C4' energy: -115.944 flat angles C4'-P-C4' energy: -139.530 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: -183.651 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: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1944.323346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.323346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.323346 (E_RNA) where: Base-Base interactions energy: -1356.198 where: short stacking energy: -558.780 Base-Backbone interact. energy: -1.268 local terms energy: -586.857450 where: bonds (distance) C4'-P energy: -90.699 bonds (distance) P-C4' energy: -115.818 flat angles C4'-P-C4' energy: -129.681 flat angles P-C4'-P energy: -87.535 tors. eta vs tors. theta energy: -163.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -762.888394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.888394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.888394 (E_RNA) where: Base-Base interactions energy: -365.069 where: short stacking energy: -222.530 Base-Backbone interact. energy: 1.099 local terms energy: -398.918388 where: bonds (distance) C4'-P energy: -130.798 bonds (distance) P-C4' energy: -107.035 flat angles C4'-P-C4' energy: -86.378 flat angles P-C4'-P energy: -74.429 tors. eta vs tors. theta energy: -0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2631.617454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.617454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.617454 (E_RNA) where: Base-Base interactions energy: -1866.697 where: short stacking energy: -755.888 Base-Backbone interact. energy: -1.482 local terms energy: -763.438335 where: bonds (distance) C4'-P energy: -138.618 bonds (distance) P-C4' energy: -134.067 flat angles C4'-P-C4' energy: -153.429 flat angles P-C4'-P energy: -107.507 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: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2628.234219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.234219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.234219 (E_RNA) where: Base-Base interactions energy: -1877.375 where: short stacking energy: -759.536 Base-Backbone interact. energy: -2.690 local terms energy: -748.169065 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -128.867 flat angles C4'-P-C4' energy: -145.414 flat angles P-C4'-P energy: -113.859 tors. eta vs tors. theta energy: -233.737 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: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2527.358492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.358492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.358492 (E_RNA) where: Base-Base interactions energy: -1823.050 where: short stacking energy: -769.383 Base-Backbone interact. energy: -1.587 local terms energy: -702.721390 where: bonds (distance) C4'-P energy: -117.128 bonds (distance) P-C4' energy: -119.741 flat angles C4'-P-C4' energy: -158.693 flat angles P-C4'-P energy: -82.147 tors. eta vs tors. theta energy: -225.013 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: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2481.253360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.253360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.253360 (E_RNA) where: Base-Base interactions energy: -1756.162 where: short stacking energy: -724.511 Base-Backbone interact. energy: 0.165 local terms energy: -725.255824 where: bonds (distance) C4'-P energy: -127.763 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -145.528 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -226.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2348.837483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.837483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.837483 (E_RNA) where: Base-Base interactions energy: -1664.249 where: short stacking energy: -672.925 Base-Backbone interact. energy: -1.635 local terms energy: -682.953432 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -125.086 flat angles C4'-P-C4' energy: -143.802 flat angles P-C4'-P energy: -91.122 tors. eta vs tors. theta energy: -202.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2260.652365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.652365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.652365 (E_RNA) where: Base-Base interactions energy: -1594.545 where: short stacking energy: -643.150 Base-Backbone interact. energy: -2.202 local terms energy: -663.905001 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -104.893 flat angles C4'-P-C4' energy: -136.101 flat angles P-C4'-P energy: -96.457 tors. eta vs tors. theta energy: -199.552 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: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2149.479095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.479095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.479095 (E_RNA) where: Base-Base interactions energy: -1536.431 where: short stacking energy: -629.826 Base-Backbone interact. energy: 0.658 local terms energy: -613.706082 where: bonds (distance) C4'-P energy: -107.553 bonds (distance) P-C4' energy: -103.607 flat angles C4'-P-C4' energy: -139.691 flat angles P-C4'-P energy: -82.834 tors. eta vs tors. theta energy: -180.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -2112.275975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.275975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.275975 (E_RNA) where: Base-Base interactions energy: -1509.558 where: short stacking energy: -628.847 Base-Backbone interact. energy: 4.340 local terms energy: -607.057950 where: bonds (distance) C4'-P energy: -103.978 bonds (distance) P-C4' energy: -109.761 flat angles C4'-P-C4' energy: -132.465 flat angles P-C4'-P energy: -82.972 tors. eta vs tors. theta energy: -177.882 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: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1886.216058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.216058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.216058 (E_RNA) where: Base-Base interactions energy: -1322.162 where: short stacking energy: -540.692 Base-Backbone interact. energy: -1.641 local terms energy: -562.412692 where: bonds (distance) C4'-P energy: -109.718 bonds (distance) P-C4' energy: -101.595 flat angles C4'-P-C4' energy: -123.429 flat angles P-C4'-P energy: -75.707 tors. eta vs tors. theta energy: -151.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -768.489792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.489792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.489792 (E_RNA) where: Base-Base interactions energy: -395.365 where: short stacking energy: -209.815 Base-Backbone interact. energy: 0.326 local terms energy: -373.450893 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -102.596 flat angles C4'-P-C4' energy: -86.509 flat angles P-C4'-P energy: -75.889 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2628.141175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.141175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.141175 (E_RNA) where: Base-Base interactions energy: -1878.651 where: short stacking energy: -761.686 Base-Backbone interact. energy: -3.556 local terms energy: -745.934024 where: bonds (distance) C4'-P energy: -109.418 bonds (distance) P-C4' energy: -134.756 flat angles C4'-P-C4' energy: -162.127 flat angles P-C4'-P energy: -108.765 tors. eta vs tors. theta energy: -230.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2635.372620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.372620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.372620 (E_RNA) where: Base-Base interactions energy: -1890.293 where: short stacking energy: -761.187 Base-Backbone interact. energy: -2.456 local terms energy: -742.623664 where: bonds (distance) C4'-P energy: -119.685 bonds (distance) P-C4' energy: -126.215 flat angles C4'-P-C4' energy: -154.381 flat angles P-C4'-P energy: -112.821 tors. eta vs tors. theta energy: -229.522 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: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2556.676936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.676936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.676936 (E_RNA) where: Base-Base interactions energy: -1795.527 where: short stacking energy: -768.484 Base-Backbone interact. energy: -1.587 local terms energy: -759.563528 where: bonds (distance) C4'-P energy: -110.890 bonds (distance) P-C4' energy: -130.334 flat angles C4'-P-C4' energy: -158.329 flat angles P-C4'-P energy: -115.706 tors. eta vs tors. theta energy: -244.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2455.596677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.596677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.596677 (E_RNA) where: Base-Base interactions energy: -1736.353 where: short stacking energy: -703.876 Base-Backbone interact. energy: 0.845 local terms energy: -720.088652 where: bonds (distance) C4'-P energy: -115.168 bonds (distance) P-C4' energy: -136.621 flat angles C4'-P-C4' energy: -151.170 flat angles P-C4'-P energy: -100.465 tors. eta vs tors. theta energy: -216.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2368.543848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.543848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.543848 (E_RNA) where: Base-Base interactions energy: -1667.197 where: short stacking energy: -690.175 Base-Backbone interact. energy: 0.253 local terms energy: -701.599914 where: bonds (distance) C4'-P energy: -126.418 bonds (distance) P-C4' energy: -112.990 flat angles C4'-P-C4' energy: -146.591 flat angles P-C4'-P energy: -103.214 tors. eta vs tors. theta energy: -212.387 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: 318 Temperature: 1.150000 Total energy: -2279.551723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.551723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.551723 (E_RNA) where: Base-Base interactions energy: -1622.348 where: short stacking energy: -682.298 Base-Backbone interact. energy: -5.059 local terms energy: -652.145534 where: bonds (distance) C4'-P energy: -117.433 bonds (distance) P-C4' energy: -109.006 flat angles C4'-P-C4' energy: -139.742 flat angles P-C4'-P energy: -86.724 tors. eta vs tors. theta energy: -199.240 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: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2141.639763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.639763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.639763 (E_RNA) where: Base-Base interactions energy: -1513.046 where: short stacking energy: -600.281 Base-Backbone interact. energy: 3.336 local terms energy: -631.929147 where: bonds (distance) C4'-P energy: -112.771 bonds (distance) P-C4' energy: -111.602 flat angles C4'-P-C4' energy: -140.227 flat angles P-C4'-P energy: -89.329 tors. eta vs tors. theta energy: -178.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -2113.567315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.567315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.567315 (E_RNA) where: Base-Base interactions energy: -1488.135 where: short stacking energy: -607.620 Base-Backbone interact. energy: 0.161 local terms energy: -625.594270 where: bonds (distance) C4'-P energy: -95.560 bonds (distance) P-C4' energy: -122.909 flat angles C4'-P-C4' energy: -132.738 flat angles P-C4'-P energy: -88.999 tors. eta vs tors. theta energy: -185.388 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: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1898.805509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.805509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.805509 (E_RNA) where: Base-Base interactions energy: -1335.563 where: short stacking energy: -555.308 Base-Backbone interact. energy: -0.294 local terms energy: -562.949481 where: bonds (distance) C4'-P energy: -110.169 bonds (distance) P-C4' energy: -98.167 flat angles C4'-P-C4' energy: -129.479 flat angles P-C4'-P energy: -73.152 tors. eta vs tors. theta energy: -151.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -686.752124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.752124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.752124 (E_RNA) where: Base-Base interactions energy: -309.690 where: short stacking energy: -189.282 Base-Backbone interact. energy: 0.847 local terms energy: -377.909693 where: bonds (distance) C4'-P energy: -83.696 bonds (distance) P-C4' energy: -129.949 flat angles C4'-P-C4' energy: -93.259 flat angles P-C4'-P energy: -81.489 tors. eta vs tors. theta energy: 10.483 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: 319 Temperature: 0.900000 Total energy: -2641.669677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.669677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.669677 (E_RNA) where: Base-Base interactions energy: -1881.694 where: short stacking energy: -776.611 Base-Backbone interact. energy: -2.199 local terms energy: -757.776607 where: bonds (distance) C4'-P energy: -144.355 bonds (distance) P-C4' energy: -135.395 flat angles C4'-P-C4' energy: -144.231 flat angles P-C4'-P energy: -109.546 tors. eta vs tors. theta energy: -224.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2645.485659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.485659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.485659 (E_RNA) where: Base-Base interactions energy: -1879.878 where: short stacking energy: -758.951 Base-Backbone interact. energy: -2.467 local terms energy: -763.141506 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -130.578 flat angles C4'-P-C4' energy: -159.859 flat angles P-C4'-P energy: -113.256 tors. eta vs tors. theta energy: -232.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2511.282552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.282552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.282552 (E_RNA) where: Base-Base interactions energy: -1766.592 where: short stacking energy: -726.721 Base-Backbone interact. energy: -0.269 local terms energy: -744.421869 where: bonds (distance) C4'-P energy: -113.518 bonds (distance) P-C4' energy: -135.658 flat angles C4'-P-C4' energy: -151.086 flat angles P-C4'-P energy: -121.196 tors. eta vs tors. theta energy: -222.964 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: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2449.176138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.176138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.176138 (E_RNA) where: Base-Base interactions energy: -1733.846 where: short stacking energy: -728.325 Base-Backbone interact. energy: -2.421 local terms energy: -712.908439 where: bonds (distance) C4'-P energy: -108.628 bonds (distance) P-C4' energy: -115.059 flat angles C4'-P-C4' energy: -158.912 flat angles P-C4'-P energy: -105.184 tors. eta vs tors. theta energy: -225.125 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: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2360.080677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.080677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.080677 (E_RNA) where: Base-Base interactions energy: -1672.545 where: short stacking energy: -694.925 Base-Backbone interact. energy: -1.427 local terms energy: -686.108636 where: bonds (distance) C4'-P energy: -128.345 bonds (distance) P-C4' energy: -118.886 flat angles C4'-P-C4' energy: -139.581 flat angles P-C4'-P energy: -87.853 tors. eta vs tors. theta energy: -211.443 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: 319 Temperature: 1.150000 Total energy: -2317.920808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.920808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.920808 (E_RNA) where: Base-Base interactions energy: -1663.702 where: short stacking energy: -667.352 Base-Backbone interact. energy: -0.966 local terms energy: -653.252327 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -102.865 flat angles C4'-P-C4' energy: -134.930 flat angles P-C4'-P energy: -92.924 tors. eta vs tors. theta energy: -211.647 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: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2141.162916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.162916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.162916 (E_RNA) where: Base-Base interactions energy: -1523.816 where: short stacking energy: -642.833 Base-Backbone interact. energy: -1.660 local terms energy: -615.686350 where: bonds (distance) C4'-P energy: -104.135 bonds (distance) P-C4' energy: -110.429 flat angles C4'-P-C4' energy: -123.059 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -185.850 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: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2083.015234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.015234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.015234 (E_RNA) where: Base-Base interactions energy: -1464.968 where: short stacking energy: -581.530 Base-Backbone interact. energy: -2.131 local terms energy: -615.916134 where: bonds (distance) C4'-P energy: -119.613 bonds (distance) P-C4' energy: -105.263 flat angles C4'-P-C4' energy: -124.544 flat angles P-C4'-P energy: -102.837 tors. eta vs tors. theta energy: -163.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1911.330453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.330453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.330453 (E_RNA) where: Base-Base interactions energy: -1339.321 where: short stacking energy: -517.842 Base-Backbone interact. energy: 2.659 local terms energy: -574.668119 where: bonds (distance) C4'-P energy: -96.973 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -126.527 flat angles P-C4'-P energy: -89.790 tors. eta vs tors. theta energy: -159.953 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: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -683.642649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.642649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.642649 (E_RNA) where: Base-Base interactions energy: -320.589 where: short stacking energy: -197.611 Base-Backbone interact. energy: -4.107 local terms energy: -358.947331 where: bonds (distance) C4'-P energy: -109.377 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -71.297 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: 0.748 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: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2621.229951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.229951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.229951 (E_RNA) where: Base-Base interactions energy: -1866.711 where: short stacking energy: -779.499 Base-Backbone interact. energy: -0.296 local terms energy: -754.223072 where: bonds (distance) C4'-P energy: -140.216 bonds (distance) P-C4' energy: -125.636 flat angles C4'-P-C4' energy: -153.232 flat angles P-C4'-P energy: -106.595 tors. eta vs tors. theta energy: -228.543 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: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2635.610542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.610542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.610542 (E_RNA) where: Base-Base interactions energy: -1892.053 where: short stacking energy: -766.777 Base-Backbone interact. energy: 1.319 local terms energy: -744.876654 where: bonds (distance) C4'-P energy: -130.257 bonds (distance) P-C4' energy: -124.746 flat angles C4'-P-C4' energy: -151.883 flat angles P-C4'-P energy: -101.570 tors. eta vs tors. theta energy: -236.420 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: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2553.485720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.485720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.485720 (E_RNA) where: Base-Base interactions energy: -1786.949 where: short stacking energy: -751.962 Base-Backbone interact. energy: -1.286 local terms energy: -765.251079 where: bonds (distance) C4'-P energy: -141.080 bonds (distance) P-C4' energy: -125.191 flat angles C4'-P-C4' energy: -161.511 flat angles P-C4'-P energy: -98.557 tors. eta vs tors. theta energy: -238.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2476.506389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.506389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.506389 (E_RNA) where: Base-Base interactions energy: -1799.172 where: short stacking energy: -719.297 Base-Backbone interact. energy: -3.397 local terms energy: -673.937893 where: bonds (distance) C4'-P energy: -126.753 bonds (distance) P-C4' energy: -107.782 flat angles C4'-P-C4' energy: -130.319 flat angles P-C4'-P energy: -100.523 tors. eta vs tors. theta energy: -208.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2390.499279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.499279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.499279 (E_RNA) where: Base-Base interactions energy: -1687.833 where: short stacking energy: -689.648 Base-Backbone interact. energy: -2.033 local terms energy: -700.633612 where: bonds (distance) C4'-P energy: -128.782 bonds (distance) P-C4' energy: -120.403 flat angles C4'-P-C4' energy: -137.630 flat angles P-C4'-P energy: -102.600 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: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2262.280351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.280351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.280351 (E_RNA) where: Base-Base interactions energy: -1620.391 where: short stacking energy: -651.445 Base-Backbone interact. energy: -1.027 local terms energy: -640.862385 where: bonds (distance) C4'-P energy: -124.992 bonds (distance) P-C4' energy: -108.560 flat angles C4'-P-C4' energy: -138.767 flat angles P-C4'-P energy: -75.621 tors. eta vs tors. theta energy: -192.923 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: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2131.446296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.446296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.446296 (E_RNA) where: Base-Base interactions energy: -1519.539 where: short stacking energy: -636.424 Base-Backbone interact. energy: -1.666 local terms energy: -610.240567 where: bonds (distance) C4'-P energy: -112.012 bonds (distance) P-C4' energy: -111.217 flat angles C4'-P-C4' energy: -122.389 flat angles P-C4'-P energy: -81.278 tors. eta vs tors. theta energy: -183.344 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: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -2066.426186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.426186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.426186 (E_RNA) where: Base-Base interactions energy: -1424.752 where: short stacking energy: -596.102 Base-Backbone interact. energy: -2.075 local terms energy: -639.598975 where: bonds (distance) C4'-P energy: -109.594 bonds (distance) P-C4' energy: -121.304 flat angles C4'-P-C4' energy: -147.251 flat angles P-C4'-P energy: -88.051 tors. eta vs tors. theta energy: -173.399 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: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1883.126961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.126961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.126961 (E_RNA) where: Base-Base interactions energy: -1345.375 where: short stacking energy: -544.865 Base-Backbone interact. energy: 0.674 local terms energy: -538.426268 where: bonds (distance) C4'-P energy: -101.123 bonds (distance) P-C4' energy: -101.285 flat angles C4'-P-C4' energy: -114.144 flat angles P-C4'-P energy: -73.131 tors. eta vs tors. theta energy: -148.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -668.229613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.229613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.229613 (E_RNA) where: Base-Base interactions energy: -301.971 where: short stacking energy: -194.558 Base-Backbone interact. energy: 4.969 local terms energy: -371.227412 where: bonds (distance) C4'-P energy: -109.247 bonds (distance) P-C4' energy: -100.335 flat angles C4'-P-C4' energy: -98.738 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: 7.634 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: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2640.795779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.795779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.795779 (E_RNA) where: Base-Base interactions energy: -1887.186 where: short stacking energy: -762.873 Base-Backbone interact. energy: -2.374 local terms energy: -751.235963 where: bonds (distance) C4'-P energy: -126.394 bonds (distance) P-C4' energy: -129.826 flat angles C4'-P-C4' energy: -155.100 flat angles P-C4'-P energy: -110.929 tors. eta vs tors. theta energy: -228.987 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: 2, replica: 9 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2592.577990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.577990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.577990 (E_RNA) where: Base-Base interactions energy: -1857.212 where: short stacking energy: -749.763 Base-Backbone interact. energy: 2.898 local terms energy: -738.264122 where: bonds (distance) C4'-P energy: -118.860 bonds (distance) P-C4' energy: -127.107 flat angles C4'-P-C4' energy: -164.080 flat angles P-C4'-P energy: -99.546 tors. eta vs tors. theta energy: -228.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2530.958715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.958715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.958715 (E_RNA) where: Base-Base interactions energy: -1782.303 where: short stacking energy: -737.274 Base-Backbone interact. energy: -2.062 local terms energy: -746.593743 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -137.010 flat angles C4'-P-C4' energy: -152.691 flat angles P-C4'-P energy: -112.550 tors. eta vs tors. theta energy: -224.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2478.991989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.991989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.991989 (E_RNA) where: Base-Base interactions energy: -1767.846 where: short stacking energy: -731.933 Base-Backbone interact. energy: -3.434 local terms energy: -707.712085 where: bonds (distance) C4'-P energy: -118.226 bonds (distance) P-C4' energy: -130.186 flat angles C4'-P-C4' energy: -138.395 flat angles P-C4'-P energy: -95.881 tors. eta vs tors. theta energy: -225.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2359.307602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.307602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.307602 (E_RNA) where: Base-Base interactions energy: -1656.567 where: short stacking energy: -679.514 Base-Backbone interact. energy: -1.398 local terms energy: -701.341892 where: bonds (distance) C4'-P energy: -126.576 bonds (distance) P-C4' energy: -119.201 flat angles C4'-P-C4' energy: -152.607 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -203.577 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: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2238.187966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.187966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.187966 (E_RNA) where: Base-Base interactions energy: -1569.282 where: short stacking energy: -653.413 Base-Backbone interact. energy: 8.533 local terms energy: -677.438431 where: bonds (distance) C4'-P energy: -113.290 bonds (distance) P-C4' energy: -131.717 flat angles C4'-P-C4' energy: -144.175 flat angles P-C4'-P energy: -90.368 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: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2136.725412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.725412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.725412 (E_RNA) where: Base-Base interactions energy: -1508.056 where: short stacking energy: -610.769 Base-Backbone interact. energy: -1.637 local terms energy: -627.032231 where: bonds (distance) C4'-P energy: -120.406 bonds (distance) P-C4' energy: -99.855 flat angles C4'-P-C4' energy: -136.489 flat angles P-C4'-P energy: -88.426 tors. eta vs tors. theta energy: -181.858 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: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -2081.287871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.287871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.287871 (E_RNA) where: Base-Base interactions energy: -1496.368 where: short stacking energy: -609.643 Base-Backbone interact. energy: -0.844 local terms energy: -584.075403 where: bonds (distance) C4'-P energy: -102.296 bonds (distance) P-C4' energy: -108.768 flat angles C4'-P-C4' energy: -114.946 flat angles P-C4'-P energy: -83.051 tors. eta vs tors. theta energy: -175.015 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: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1986.263685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.263685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.263685 (E_RNA) where: Base-Base interactions energy: -1400.736 where: short stacking energy: -580.168 Base-Backbone interact. energy: -1.949 local terms energy: -583.579463 where: bonds (distance) C4'-P energy: -110.009 bonds (distance) P-C4' energy: -99.447 flat angles C4'-P-C4' energy: -131.122 flat angles P-C4'-P energy: -74.075 tors. eta vs tors. theta energy: -168.926 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: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -761.825875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.825875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.825875 (E_RNA) where: Base-Base interactions energy: -405.381 where: short stacking energy: -205.183 Base-Backbone interact. energy: -2.594 local terms energy: -353.850633 where: bonds (distance) C4'-P energy: -109.223 bonds (distance) P-C4' energy: -94.573 flat angles C4'-P-C4' energy: -97.780 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2634.352875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.352875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.352875 (E_RNA) where: Base-Base interactions energy: -1874.105 where: short stacking energy: -757.213 Base-Backbone interact. energy: -2.544 local terms energy: -757.703557 where: bonds (distance) C4'-P energy: -145.010 bonds (distance) P-C4' energy: -119.562 flat angles C4'-P-C4' energy: -162.125 flat angles P-C4'-P energy: -105.354 tors. eta vs tors. theta energy: -225.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2601.078282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.078282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.078282 (E_RNA) where: Base-Base interactions energy: -1859.577 where: short stacking energy: -738.543 Base-Backbone interact. energy: -2.644 local terms energy: -738.857676 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -124.731 flat angles C4'-P-C4' energy: -158.375 flat angles P-C4'-P energy: -95.875 tors. eta vs tors. theta energy: -232.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2508.285813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.285813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.285813 (E_RNA) where: Base-Base interactions energy: -1755.462 where: short stacking energy: -715.387 Base-Backbone interact. energy: 0.036 local terms energy: -752.859086 where: bonds (distance) C4'-P energy: -131.301 bonds (distance) P-C4' energy: -134.297 flat angles C4'-P-C4' energy: -153.363 flat angles P-C4'-P energy: -109.652 tors. eta vs tors. theta energy: -224.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2462.857318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.857318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.857318 (E_RNA) where: Base-Base interactions energy: -1728.296 where: short stacking energy: -697.606 Base-Backbone interact. energy: -2.560 local terms energy: -732.000680 where: bonds (distance) C4'-P energy: -128.627 bonds (distance) P-C4' energy: -141.054 flat angles C4'-P-C4' energy: -149.055 flat angles P-C4'-P energy: -95.264 tors. eta vs tors. theta energy: -218.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2382.775501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.775501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.775501 (E_RNA) where: Base-Base interactions energy: -1658.376 where: short stacking energy: -698.930 Base-Backbone interact. energy: 0.067 local terms energy: -724.466608 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -119.166 flat angles C4'-P-C4' energy: -155.428 flat angles P-C4'-P energy: -104.308 tors. eta vs tors. theta energy: -220.745 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: 6, replica: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2208.518943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.518943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.518943 (E_RNA) where: Base-Base interactions energy: -1580.280 where: short stacking energy: -644.901 Base-Backbone interact. energy: 1.956 local terms energy: -630.195156 where: bonds (distance) C4'-P energy: -113.941 bonds (distance) P-C4' energy: -109.458 flat angles C4'-P-C4' energy: -139.981 flat angles P-C4'-P energy: -85.743 tors. eta vs tors. theta energy: -181.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2241.074592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.074592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.074592 (E_RNA) where: Base-Base interactions energy: -1587.244 where: short stacking energy: -668.449 Base-Backbone interact. energy: -2.321 local terms energy: -651.509495 where: bonds (distance) C4'-P energy: -98.085 bonds (distance) P-C4' energy: -129.583 flat angles C4'-P-C4' energy: -131.624 flat angles P-C4'-P energy: -92.143 tors. eta vs tors. theta energy: -200.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -2091.827885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.827885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.827885 (E_RNA) where: Base-Base interactions energy: -1499.009 where: short stacking energy: -620.158 Base-Backbone interact. energy: 0.239 local terms energy: -593.058440 where: bonds (distance) C4'-P energy: -110.086 bonds (distance) P-C4' energy: -104.653 flat angles C4'-P-C4' energy: -128.706 flat angles P-C4'-P energy: -71.362 tors. eta vs tors. theta energy: -178.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -2030.056243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.056243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.056243 (E_RNA) where: Base-Base interactions energy: -1408.638 where: short stacking energy: -558.616 Base-Backbone interact. energy: -1.541 local terms energy: -619.877353 where: bonds (distance) C4'-P energy: -100.508 bonds (distance) P-C4' energy: -119.182 flat angles C4'-P-C4' energy: -131.382 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -178.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -749.397963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.397963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.397963 (E_RNA) where: Base-Base interactions energy: -410.894 where: short stacking energy: -188.171 Base-Backbone interact. energy: 9.092 local terms energy: -347.595391 where: bonds (distance) C4'-P energy: -98.336 bonds (distance) P-C4' energy: -117.413 flat angles C4'-P-C4' energy: -85.093 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: 3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2665.586242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.586242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.586242 (E_RNA) where: Base-Base interactions energy: -1903.480 where: short stacking energy: -773.528 Base-Backbone interact. energy: -1.976 local terms energy: -760.129942 where: bonds (distance) C4'-P energy: -133.321 bonds (distance) P-C4' energy: -130.692 flat angles C4'-P-C4' energy: -157.675 flat angles P-C4'-P energy: -104.670 tors. eta vs tors. theta energy: -233.771 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: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2605.089469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.089469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.089469 (E_RNA) where: Base-Base interactions energy: -1885.933 where: short stacking energy: -764.278 Base-Backbone interact. energy: -0.920 local terms energy: -718.236998 where: bonds (distance) C4'-P energy: -113.135 bonds (distance) P-C4' energy: -130.848 flat angles C4'-P-C4' energy: -153.610 flat angles P-C4'-P energy: -95.910 tors. eta vs tors. theta energy: -224.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2552.219597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.219597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.219597 (E_RNA) where: Base-Base interactions energy: -1782.861 where: short stacking energy: -740.293 Base-Backbone interact. energy: -2.873 local terms energy: -766.486119 where: bonds (distance) C4'-P energy: -140.627 bonds (distance) P-C4' energy: -142.876 flat angles C4'-P-C4' energy: -150.287 flat angles P-C4'-P energy: -105.417 tors. eta vs tors. theta energy: -227.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2453.081293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.081293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.081293 (E_RNA) where: Base-Base interactions energy: -1734.909 where: short stacking energy: -710.314 Base-Backbone interact. energy: -1.298 local terms energy: -716.873888 where: bonds (distance) C4'-P energy: -132.880 bonds (distance) P-C4' energy: -125.787 flat angles C4'-P-C4' energy: -147.369 flat angles P-C4'-P energy: -94.778 tors. eta vs tors. theta energy: -216.060 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: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2391.219482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.219482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.219482 (E_RNA) where: Base-Base interactions energy: -1720.136 where: short stacking energy: -707.297 Base-Backbone interact. energy: -1.323 local terms energy: -669.759916 where: bonds (distance) C4'-P energy: -104.833 bonds (distance) P-C4' energy: -101.011 flat angles C4'-P-C4' energy: -145.407 flat angles P-C4'-P energy: -100.536 tors. eta vs tors. theta energy: -217.971 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: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2254.957228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.957228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.957228 (E_RNA) where: Base-Base interactions energy: -1617.103 where: short stacking energy: -667.196 Base-Backbone interact. energy: 0.884 local terms energy: -638.737435 where: bonds (distance) C4'-P energy: -96.646 bonds (distance) P-C4' energy: -122.380 flat angles C4'-P-C4' energy: -134.343 flat angles P-C4'-P energy: -91.495 tors. eta vs tors. theta energy: -193.874 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: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2165.671107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.671107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.671107 (E_RNA) where: Base-Base interactions energy: -1551.328 where: short stacking energy: -632.675 Base-Backbone interact. energy: -1.530 local terms energy: -612.813067 where: bonds (distance) C4'-P energy: -115.131 bonds (distance) P-C4' energy: -95.634 flat angles C4'-P-C4' energy: -130.804 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: -190.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -2077.018089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.018089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.018089 (E_RNA) where: Base-Base interactions energy: -1481.102 where: short stacking energy: -576.622 Base-Backbone interact. energy: -1.405 local terms energy: -594.511645 where: bonds (distance) C4'-P energy: -101.988 bonds (distance) P-C4' energy: -98.604 flat angles C4'-P-C4' energy: -139.230 flat angles P-C4'-P energy: -81.167 tors. eta vs tors. theta energy: -173.523 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: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1952.136816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.136816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.136816 (E_RNA) where: Base-Base interactions energy: -1373.577 where: short stacking energy: -571.970 Base-Backbone interact. energy: -0.685 local terms energy: -577.875163 where: bonds (distance) C4'-P energy: -99.617 bonds (distance) P-C4' energy: -103.513 flat angles C4'-P-C4' energy: -131.537 flat angles P-C4'-P energy: -85.348 tors. eta vs tors. theta energy: -157.860 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: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -720.460251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.460251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.460251 (E_RNA) where: Base-Base interactions energy: -374.692 where: short stacking energy: -202.564 Base-Backbone interact. energy: -1.992 local terms energy: -343.775730 where: bonds (distance) C4'-P energy: -85.120 bonds (distance) P-C4' energy: -109.261 flat angles C4'-P-C4' energy: -91.144 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: 6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2642.242562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.242562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.242562 (E_RNA) where: Base-Base interactions energy: -1889.554 where: short stacking energy: -752.005 Base-Backbone interact. energy: -2.313 local terms energy: -750.375408 where: bonds (distance) C4'-P energy: -122.418 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -154.920 flat angles P-C4'-P energy: -109.937 tors. eta vs tors. theta energy: -229.043 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: 2, replica: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2606.669005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.669005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.669005 (E_RNA) where: Base-Base interactions energy: -1854.265 where: short stacking energy: -762.555 Base-Backbone interact. energy: -1.811 local terms energy: -750.592222 where: bonds (distance) C4'-P energy: -127.917 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -153.558 flat angles P-C4'-P energy: -108.851 tors. eta vs tors. theta energy: -230.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2533.366026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.366026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.366026 (E_RNA) where: Base-Base interactions energy: -1785.909 where: short stacking energy: -742.348 Base-Backbone interact. energy: -1.677 local terms energy: -745.779904 where: bonds (distance) C4'-P energy: -125.483 bonds (distance) P-C4' energy: -126.659 flat angles C4'-P-C4' energy: -159.123 flat angles P-C4'-P energy: -107.380 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: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2492.401228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.401228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.401228 (E_RNA) where: Base-Base interactions energy: -1769.140 where: short stacking energy: -715.769 Base-Backbone interact. energy: -1.270 local terms energy: -721.991531 where: bonds (distance) C4'-P energy: -132.752 bonds (distance) P-C4' energy: -115.282 flat angles C4'-P-C4' energy: -154.909 flat angles P-C4'-P energy: -95.135 tors. eta vs tors. theta energy: -223.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2396.952516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.952516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.952516 (E_RNA) where: Base-Base interactions energy: -1723.080 where: short stacking energy: -723.772 Base-Backbone interact. energy: -0.024 local terms energy: -673.848827 where: bonds (distance) C4'-P energy: -123.356 bonds (distance) P-C4' energy: -104.417 flat angles C4'-P-C4' energy: -141.351 flat angles P-C4'-P energy: -85.297 tors. eta vs tors. theta energy: -219.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2224.574639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.574639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.574639 (E_RNA) where: Base-Base interactions energy: -1584.052 where: short stacking energy: -617.190 Base-Backbone interact. energy: 4.587 local terms energy: -645.109519 where: bonds (distance) C4'-P energy: -118.883 bonds (distance) P-C4' energy: -106.132 flat angles C4'-P-C4' energy: -140.701 flat angles P-C4'-P energy: -95.440 tors. eta vs tors. theta energy: -183.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2136.815667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.815667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.815667 (E_RNA) where: Base-Base interactions energy: -1528.689 where: short stacking energy: -657.344 Base-Backbone interact. energy: -1.743 local terms energy: -606.382858 where: bonds (distance) C4'-P energy: -115.410 bonds (distance) P-C4' energy: -104.546 flat angles C4'-P-C4' energy: -124.257 flat angles P-C4'-P energy: -84.100 tors. eta vs tors. theta energy: -178.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -2073.399292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.399292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.399292 (E_RNA) where: Base-Base interactions energy: -1488.132 where: short stacking energy: -603.201 Base-Backbone interact. energy: 5.345 local terms energy: -590.611919 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -91.512 flat angles C4'-P-C4' energy: -138.054 flat angles P-C4'-P energy: -87.519 tors. eta vs tors. theta energy: -180.841 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: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1936.114618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.114618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.114618 (E_RNA) where: Base-Base interactions energy: -1358.113 where: short stacking energy: -560.795 Base-Backbone interact. energy: -1.224 local terms energy: -576.777704 where: bonds (distance) C4'-P energy: -106.644 bonds (distance) P-C4' energy: -108.647 flat angles C4'-P-C4' energy: -122.784 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -154.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -696.405050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.405050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.405050 (E_RNA) where: Base-Base interactions energy: -331.782 where: short stacking energy: -194.927 Base-Backbone interact. energy: -2.857 local terms energy: -361.765184 where: bonds (distance) C4'-P energy: -87.892 bonds (distance) P-C4' energy: -116.917 flat angles C4'-P-C4' energy: -108.556 flat angles P-C4'-P energy: -58.872 tors. eta vs tors. theta energy: 10.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2624.383833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.383833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.383833 (E_RNA) where: Base-Base interactions energy: -1896.955 where: short stacking energy: -767.227 Base-Backbone interact. energy: -0.030 local terms energy: -727.398824 where: bonds (distance) C4'-P energy: -111.372 bonds (distance) P-C4' energy: -124.323 flat angles C4'-P-C4' energy: -159.523 flat angles P-C4'-P energy: -111.427 tors. eta vs tors. theta energy: -220.754 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: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2638.275275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.275275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.275275 (E_RNA) where: Base-Base interactions energy: -1853.116 where: short stacking energy: -761.682 Base-Backbone interact. energy: 0.854 local terms energy: -786.013078 where: bonds (distance) C4'-P energy: -138.620 bonds (distance) P-C4' energy: -135.367 flat angles C4'-P-C4' energy: -155.064 flat angles P-C4'-P energy: -118.013 tors. eta vs tors. theta energy: -238.949 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: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2518.829953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.829953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.829953 (E_RNA) where: Base-Base interactions energy: -1786.436 where: short stacking energy: -729.677 Base-Backbone interact. energy: -3.101 local terms energy: -729.292797 where: bonds (distance) C4'-P energy: -108.279 bonds (distance) P-C4' energy: -132.169 flat angles C4'-P-C4' energy: -153.534 flat angles P-C4'-P energy: -109.383 tors. eta vs tors. theta energy: -225.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2526.209419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.209419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.209419 (E_RNA) where: Base-Base interactions energy: -1791.709 where: short stacking energy: -742.600 Base-Backbone interact. energy: -1.446 local terms energy: -733.054109 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -117.555 flat angles C4'-P-C4' energy: -149.341 flat angles P-C4'-P energy: -101.792 tors. eta vs tors. theta energy: -237.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2424.322134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.322134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.322134 (E_RNA) where: Base-Base interactions energy: -1741.495 where: short stacking energy: -701.638 Base-Backbone interact. energy: 2.124 local terms energy: -684.950955 where: bonds (distance) C4'-P energy: -123.162 bonds (distance) P-C4' energy: -114.971 flat angles C4'-P-C4' energy: -143.218 flat angles P-C4'-P energy: -85.424 tors. eta vs tors. theta energy: -218.177 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: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2257.193029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.193029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.193029 (E_RNA) where: Base-Base interactions energy: -1615.549 where: short stacking energy: -681.175 Base-Backbone interact. energy: -0.457 local terms energy: -641.187226 where: bonds (distance) C4'-P energy: -97.006 bonds (distance) P-C4' energy: -110.558 flat angles C4'-P-C4' energy: -136.494 flat angles P-C4'-P energy: -90.862 tors. eta vs tors. theta energy: -206.267 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: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2190.967947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.967947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.967947 (E_RNA) where: Base-Base interactions energy: -1563.253 where: short stacking energy: -661.746 Base-Backbone interact. energy: -0.995 local terms energy: -626.720468 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -108.042 flat angles C4'-P-C4' energy: -137.491 flat angles P-C4'-P energy: -94.511 tors. eta vs tors. theta energy: -188.179 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: 8 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -2049.561607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.561607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.561607 (E_RNA) where: Base-Base interactions energy: -1456.896 where: short stacking energy: -596.921 Base-Backbone interact. energy: -0.777 local terms energy: -591.888831 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -102.543 flat angles C4'-P-C4' energy: -135.783 flat angles P-C4'-P energy: -86.803 tors. eta vs tors. theta energy: -172.596 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: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1938.752650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.752650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.752650 (E_RNA) where: Base-Base interactions energy: -1372.047 where: short stacking energy: -536.141 Base-Backbone interact. energy: -1.560 local terms energy: -565.144875 where: bonds (distance) C4'-P energy: -101.893 bonds (distance) P-C4' energy: -112.930 flat angles C4'-P-C4' energy: -122.290 flat angles P-C4'-P energy: -75.501 tors. eta vs tors. theta energy: -152.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -651.549950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.549950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.549950 (E_RNA) where: Base-Base interactions energy: -305.851 where: short stacking energy: -195.710 Base-Backbone interact. energy: -1.487 local terms energy: -344.211221 where: bonds (distance) C4'-P energy: -88.953 bonds (distance) P-C4' energy: -113.140 flat angles C4'-P-C4' energy: -87.273 flat angles P-C4'-P energy: -44.019 tors. eta vs tors. theta energy: -10.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2650.521219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.521219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.521219 (E_RNA) where: Base-Base interactions energy: -1878.271 where: short stacking energy: -788.428 Base-Backbone interact. energy: 2.984 local terms energy: -775.233902 where: bonds (distance) C4'-P energy: -137.752 bonds (distance) P-C4' energy: -131.683 flat angles C4'-P-C4' energy: -155.535 flat angles P-C4'-P energy: -117.683 tors. eta vs tors. theta energy: -232.581 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: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2636.401189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.401189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.401189 (E_RNA) where: Base-Base interactions energy: -1875.193 where: short stacking energy: -762.949 Base-Backbone interact. energy: 0.840 local terms energy: -762.047531 where: bonds (distance) C4'-P energy: -121.732 bonds (distance) P-C4' energy: -128.189 flat angles C4'-P-C4' energy: -160.640 flat angles P-C4'-P energy: -121.810 tors. eta vs tors. theta energy: -229.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2540.091406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.091406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.091406 (E_RNA) where: Base-Base interactions energy: -1806.131 where: short stacking energy: -759.621 Base-Backbone interact. energy: -0.620 local terms energy: -733.340423 where: bonds (distance) C4'-P energy: -118.908 bonds (distance) P-C4' energy: -137.403 flat angles C4'-P-C4' energy: -152.806 flat angles P-C4'-P energy: -98.778 tors. eta vs tors. theta energy: -225.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2487.763706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.763706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.763706 (E_RNA) where: Base-Base interactions energy: -1762.230 where: short stacking energy: -721.415 Base-Backbone interact. energy: -0.587 local terms energy: -724.946892 where: bonds (distance) C4'-P energy: -123.685 bonds (distance) P-C4' energy: -113.398 flat angles C4'-P-C4' energy: -149.313 flat angles P-C4'-P energy: -111.055 tors. eta vs tors. theta energy: -227.496 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: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2404.132567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.132567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.132567 (E_RNA) where: Base-Base interactions energy: -1725.779 where: short stacking energy: -709.370 Base-Backbone interact. energy: -2.607 local terms energy: -675.746669 where: bonds (distance) C4'-P energy: -123.730 bonds (distance) P-C4' energy: -95.951 flat angles C4'-P-C4' energy: -136.665 flat angles P-C4'-P energy: -95.874 tors. eta vs tors. theta energy: -223.528 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: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2232.377391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.377391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.377391 (E_RNA) where: Base-Base interactions energy: -1568.371 where: short stacking energy: -657.351 Base-Backbone interact. energy: -1.259 local terms energy: -662.747117 where: bonds (distance) C4'-P energy: -119.834 bonds (distance) P-C4' energy: -120.291 flat angles C4'-P-C4' energy: -133.685 flat angles P-C4'-P energy: -89.831 tors. eta vs tors. theta energy: -199.106 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: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2189.009638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.009638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.009638 (E_RNA) where: Base-Base interactions energy: -1520.158 where: short stacking energy: -635.881 Base-Backbone interact. energy: -1.841 local terms energy: -667.010665 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -124.840 flat angles C4'-P-C4' energy: -144.891 flat angles P-C4'-P energy: -91.295 tors. eta vs tors. theta energy: -198.187 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: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -2090.597779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.597779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.597779 (E_RNA) where: Base-Base interactions energy: -1483.152 where: short stacking energy: -586.743 Base-Backbone interact. energy: -0.358 local terms energy: -607.087272 where: bonds (distance) C4'-P energy: -99.266 bonds (distance) P-C4' energy: -116.924 flat angles C4'-P-C4' energy: -136.249 flat angles P-C4'-P energy: -89.195 tors. eta vs tors. theta energy: -165.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1959.741375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.741375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.741375 (E_RNA) where: Base-Base interactions energy: -1399.237 where: short stacking energy: -572.503 Base-Backbone interact. energy: 2.103 local terms energy: -562.607390 where: bonds (distance) C4'-P energy: -104.303 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -129.783 flat angles P-C4'-P energy: -73.365 tors. eta vs tors. theta energy: -162.909 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: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -721.297665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.297665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.297665 (E_RNA) where: Base-Base interactions energy: -359.803 where: short stacking energy: -200.759 Base-Backbone interact. energy: -3.004 local terms energy: -358.490258 where: bonds (distance) C4'-P energy: -85.476 bonds (distance) P-C4' energy: -107.432 flat angles C4'-P-C4' energy: -87.368 flat angles P-C4'-P energy: -71.684 tors. eta vs tors. theta energy: -6.530 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: 327 Temperature: 0.900000 Total energy: -2642.479150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.479150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.479150 (E_RNA) where: Base-Base interactions energy: -1887.559 where: short stacking energy: -770.257 Base-Backbone interact. energy: 2.558 local terms energy: -757.477903 where: bonds (distance) C4'-P energy: -120.069 bonds (distance) P-C4' energy: -132.962 flat angles C4'-P-C4' energy: -161.141 flat angles P-C4'-P energy: -117.736 tors. eta vs tors. theta energy: -225.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2628.074746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.074746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.074746 (E_RNA) where: Base-Base interactions energy: -1876.493 where: short stacking energy: -761.305 Base-Backbone interact. energy: -2.073 local terms energy: -749.508084 where: bonds (distance) C4'-P energy: -121.347 bonds (distance) P-C4' energy: -133.054 flat angles C4'-P-C4' energy: -155.680 flat angles P-C4'-P energy: -103.574 tors. eta vs tors. theta energy: -235.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2560.895311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.895311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.895311 (E_RNA) where: Base-Base interactions energy: -1819.083 where: short stacking energy: -756.640 Base-Backbone interact. energy: -2.693 local terms energy: -739.119523 where: bonds (distance) C4'-P energy: -115.040 bonds (distance) P-C4' energy: -121.128 flat angles C4'-P-C4' energy: -153.367 flat angles P-C4'-P energy: -115.406 tors. eta vs tors. theta energy: -234.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2449.565877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.565877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.565877 (E_RNA) where: Base-Base interactions energy: -1744.863 where: short stacking energy: -707.918 Base-Backbone interact. energy: -0.672 local terms energy: -704.031218 where: bonds (distance) C4'-P energy: -117.508 bonds (distance) P-C4' energy: -107.708 flat angles C4'-P-C4' energy: -159.072 flat angles P-C4'-P energy: -99.096 tors. eta vs tors. theta energy: -220.647 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: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2405.850863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.850863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.850863 (E_RNA) where: Base-Base interactions energy: -1699.964 where: short stacking energy: -711.926 Base-Backbone interact. energy: 0.565 local terms energy: -706.452150 where: bonds (distance) C4'-P energy: -121.838 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -154.108 flat angles P-C4'-P energy: -92.887 tors. eta vs tors. theta energy: -215.905 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: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2266.181982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.181982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.181982 (E_RNA) where: Base-Base interactions energy: -1607.092 where: short stacking energy: -667.040 Base-Backbone interact. energy: 1.809 local terms energy: -660.899294 where: bonds (distance) C4'-P energy: -124.889 bonds (distance) P-C4' energy: -120.837 flat angles C4'-P-C4' energy: -129.376 flat angles P-C4'-P energy: -88.314 tors. eta vs tors. theta energy: -197.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2180.492054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.492054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.492054 (E_RNA) where: Base-Base interactions energy: -1515.989 where: short stacking energy: -622.504 Base-Backbone interact. energy: -2.508 local terms energy: -661.995533 where: bonds (distance) C4'-P energy: -107.547 bonds (distance) P-C4' energy: -121.126 flat angles C4'-P-C4' energy: -148.843 flat angles P-C4'-P energy: -86.050 tors. eta vs tors. theta energy: -198.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -2036.688047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.688047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.688047 (E_RNA) where: Base-Base interactions energy: -1433.009 where: short stacking energy: -574.300 Base-Backbone interact. energy: -0.874 local terms energy: -602.804386 where: bonds (distance) C4'-P energy: -109.322 bonds (distance) P-C4' energy: -104.101 flat angles C4'-P-C4' energy: -129.812 flat angles P-C4'-P energy: -89.272 tors. eta vs tors. theta energy: -170.297 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: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1985.037233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.037233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.037233 (E_RNA) where: Base-Base interactions energy: -1420.423 where: short stacking energy: -579.090 Base-Backbone interact. energy: -2.259 local terms energy: -562.355213 where: bonds (distance) C4'-P energy: -96.731 bonds (distance) P-C4' energy: -112.557 flat angles C4'-P-C4' energy: -118.386 flat angles P-C4'-P energy: -76.484 tors. eta vs tors. theta energy: -158.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -715.770060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.770060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.770060 (E_RNA) where: Base-Base interactions energy: -371.764 where: short stacking energy: -215.716 Base-Backbone interact. energy: 1.022 local terms energy: -345.028564 where: bonds (distance) C4'-P energy: -114.934 bonds (distance) P-C4' energy: -103.773 flat angles C4'-P-C4' energy: -80.771 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2673.541785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.541785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.541785 (E_RNA) where: Base-Base interactions energy: -1906.554 where: short stacking energy: -767.762 Base-Backbone interact. energy: -3.180 local terms energy: -763.807057 where: bonds (distance) C4'-P energy: -126.999 bonds (distance) P-C4' energy: -139.136 flat angles C4'-P-C4' energy: -160.102 flat angles P-C4'-P energy: -107.307 tors. eta vs tors. theta energy: -230.263 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: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2589.007393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.007393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.007393 (E_RNA) where: Base-Base interactions energy: -1839.881 where: short stacking energy: -750.650 Base-Backbone interact. energy: 1.248 local terms energy: -750.374356 where: bonds (distance) C4'-P energy: -117.400 bonds (distance) P-C4' energy: -128.559 flat angles C4'-P-C4' energy: -162.834 flat angles P-C4'-P energy: -114.560 tors. eta vs tors. theta energy: -227.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2566.595636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.595636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.595636 (E_RNA) where: Base-Base interactions energy: -1799.147 where: short stacking energy: -746.859 Base-Backbone interact. energy: -0.738 local terms energy: -766.710053 where: bonds (distance) C4'-P energy: -125.758 bonds (distance) P-C4' energy: -143.939 flat angles C4'-P-C4' energy: -165.433 flat angles P-C4'-P energy: -99.430 tors. eta vs tors. theta energy: -232.150 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: 328 Temperature: 1.050000 Total energy: -2451.386936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.386936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.386936 (E_RNA) where: Base-Base interactions energy: -1755.628 where: short stacking energy: -701.290 Base-Backbone interact. energy: -0.729 local terms energy: -695.030048 where: bonds (distance) C4'-P energy: -118.475 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -135.438 flat angles P-C4'-P energy: -102.574 tors. eta vs tors. theta energy: -218.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2400.227376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.227376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.227376 (E_RNA) where: Base-Base interactions energy: -1705.270 where: short stacking energy: -690.558 Base-Backbone interact. energy: -0.807 local terms energy: -694.150159 where: bonds (distance) C4'-P energy: -120.619 bonds (distance) P-C4' energy: -125.844 flat angles C4'-P-C4' energy: -142.220 flat angles P-C4'-P energy: -95.187 tors. eta vs tors. theta energy: -210.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2234.631648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.631648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.631648 (E_RNA) where: Base-Base interactions energy: -1576.789 where: short stacking energy: -639.924 Base-Backbone interact. energy: -0.359 local terms energy: -657.483656 where: bonds (distance) C4'-P energy: -108.342 bonds (distance) P-C4' energy: -106.484 flat angles C4'-P-C4' energy: -146.377 flat angles P-C4'-P energy: -101.835 tors. eta vs tors. theta energy: -194.445 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: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2196.527712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.527712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.527712 (E_RNA) where: Base-Base interactions energy: -1554.715 where: short stacking energy: -616.630 Base-Backbone interact. energy: -0.439 local terms energy: -641.373937 where: bonds (distance) C4'-P energy: -111.843 bonds (distance) P-C4' energy: -107.437 flat angles C4'-P-C4' energy: -143.965 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -186.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -2173.994014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.994014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.994014 (E_RNA) where: Base-Base interactions energy: -1576.204 where: short stacking energy: -627.870 Base-Backbone interact. energy: -0.235 local terms energy: -597.554902 where: bonds (distance) C4'-P energy: -100.041 bonds (distance) P-C4' energy: -94.705 flat angles C4'-P-C4' energy: -131.847 flat angles P-C4'-P energy: -84.631 tors. eta vs tors. theta energy: -186.331 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: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1916.702806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.702806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.702806 (E_RNA) where: Base-Base interactions energy: -1335.656 where: short stacking energy: -535.010 Base-Backbone interact. energy: -2.797 local terms energy: -578.249502 where: bonds (distance) C4'-P energy: -93.828 bonds (distance) P-C4' energy: -120.793 flat angles C4'-P-C4' energy: -134.007 flat angles P-C4'-P energy: -84.837 tors. eta vs tors. theta energy: -144.784 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: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -743.271342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.271342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.271342 (E_RNA) where: Base-Base interactions energy: -393.180 where: short stacking energy: -206.606 Base-Backbone interact. energy: -3.909 local terms energy: -346.182551 where: bonds (distance) C4'-P energy: -88.636 bonds (distance) P-C4' energy: -120.877 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -57.144 tors. eta vs tors. theta energy: 14.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2684.670089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.670089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.670089 (E_RNA) where: Base-Base interactions energy: -1882.535 where: short stacking energy: -770.529 Base-Backbone interact. energy: -3.067 local terms energy: -799.067803 where: bonds (distance) C4'-P energy: -156.614 bonds (distance) P-C4' energy: -132.602 flat angles C4'-P-C4' energy: -158.865 flat angles P-C4'-P energy: -111.412 tors. eta vs tors. theta energy: -239.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2578.451547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.451547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.451547 (E_RNA) where: Base-Base interactions energy: -1839.810 where: short stacking energy: -737.088 Base-Backbone interact. energy: 3.059 local terms energy: -741.700326 where: bonds (distance) C4'-P energy: -123.541 bonds (distance) P-C4' energy: -130.496 flat angles C4'-P-C4' energy: -151.135 flat angles P-C4'-P energy: -110.991 tors. eta vs tors. theta energy: -225.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2559.124790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.124790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.124790 (E_RNA) where: Base-Base interactions energy: -1832.877 where: short stacking energy: -752.207 Base-Backbone interact. energy: -2.778 local terms energy: -723.469367 where: bonds (distance) C4'-P energy: -132.645 bonds (distance) P-C4' energy: -124.434 flat angles C4'-P-C4' energy: -143.589 flat angles P-C4'-P energy: -102.273 tors. eta vs tors. theta energy: -220.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2472.803711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.803711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.803711 (E_RNA) where: Base-Base interactions energy: -1775.928 where: short stacking energy: -746.421 Base-Backbone interact. energy: -2.608 local terms energy: -694.267359 where: bonds (distance) C4'-P energy: -110.664 bonds (distance) P-C4' energy: -109.272 flat angles C4'-P-C4' energy: -154.104 flat angles P-C4'-P energy: -99.534 tors. eta vs tors. theta energy: -220.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2386.387518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.387518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.387518 (E_RNA) where: Base-Base interactions energy: -1707.010 where: short stacking energy: -686.022 Base-Backbone interact. energy: -2.573 local terms energy: -676.803939 where: bonds (distance) C4'-P energy: -108.059 bonds (distance) P-C4' energy: -109.216 flat angles C4'-P-C4' energy: -137.270 flat angles P-C4'-P energy: -108.865 tors. eta vs tors. theta energy: -213.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2283.950337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.950337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.950337 (E_RNA) where: Base-Base interactions energy: -1636.338 where: short stacking energy: -667.112 Base-Backbone interact. energy: -2.242 local terms energy: -645.370962 where: bonds (distance) C4'-P energy: -96.958 bonds (distance) P-C4' energy: -112.899 flat angles C4'-P-C4' energy: -150.448 flat angles P-C4'-P energy: -90.477 tors. eta vs tors. theta energy: -194.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2219.947025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.947025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.947025 (E_RNA) where: Base-Base interactions energy: -1589.389 where: short stacking energy: -657.707 Base-Backbone interact. energy: -2.936 local terms energy: -627.621739 where: bonds (distance) C4'-P energy: -109.790 bonds (distance) P-C4' energy: -116.151 flat angles C4'-P-C4' energy: -134.116 flat angles P-C4'-P energy: -71.794 tors. eta vs tors. theta energy: -195.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -2126.669902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.669902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.669902 (E_RNA) where: Base-Base interactions energy: -1521.612 where: short stacking energy: -623.117 Base-Backbone interact. energy: -2.579 local terms energy: -602.478921 where: bonds (distance) C4'-P energy: -91.726 bonds (distance) P-C4' energy: -107.147 flat angles C4'-P-C4' energy: -138.649 flat angles P-C4'-P energy: -80.841 tors. eta vs tors. theta energy: -184.116 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: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1916.891011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.891011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.891011 (E_RNA) where: Base-Base interactions energy: -1344.363 where: short stacking energy: -532.857 Base-Backbone interact. energy: -1.182 local terms energy: -571.346581 where: bonds (distance) C4'-P energy: -98.397 bonds (distance) P-C4' energy: -109.615 flat angles C4'-P-C4' energy: -128.833 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: -154.828 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: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -720.771708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.771708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.771708 (E_RNA) where: Base-Base interactions energy: -338.242 where: short stacking energy: -201.901 Base-Backbone interact. energy: 6.867 local terms energy: -389.396582 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -126.580 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -73.720 tors. eta vs tors. theta energy: 18.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2639.791280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.791280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.791280 (E_RNA) where: Base-Base interactions energy: -1871.093 where: short stacking energy: -744.821 Base-Backbone interact. energy: 1.106 local terms energy: -769.804876 where: bonds (distance) C4'-P energy: -147.764 bonds (distance) P-C4' energy: -138.487 flat angles C4'-P-C4' energy: -155.307 flat angles P-C4'-P energy: -107.775 tors. eta vs tors. theta energy: -220.471 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: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2643.890484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.890484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.890484 (E_RNA) where: Base-Base interactions energy: -1886.967 where: short stacking energy: -764.396 Base-Backbone interact. energy: 0.003 local terms energy: -756.926929 where: bonds (distance) C4'-P energy: -115.886 bonds (distance) P-C4' energy: -131.158 flat angles C4'-P-C4' energy: -163.409 flat angles P-C4'-P energy: -111.863 tors. eta vs tors. theta energy: -234.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2542.418004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.418004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.418004 (E_RNA) where: Base-Base interactions energy: -1803.783 where: short stacking energy: -757.911 Base-Backbone interact. energy: -1.953 local terms energy: -736.681842 where: bonds (distance) C4'-P energy: -126.656 bonds (distance) P-C4' energy: -127.511 flat angles C4'-P-C4' energy: -151.886 flat angles P-C4'-P energy: -97.290 tors. eta vs tors. theta energy: -233.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2463.806353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.806353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.806353 (E_RNA) where: Base-Base interactions energy: -1744.457 where: short stacking energy: -711.040 Base-Backbone interact. energy: -2.870 local terms energy: -716.479940 where: bonds (distance) C4'-P energy: -115.755 bonds (distance) P-C4' energy: -117.245 flat angles C4'-P-C4' energy: -155.798 flat angles P-C4'-P energy: -99.555 tors. eta vs tors. theta energy: -228.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2423.057874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.057874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.057874 (E_RNA) where: Base-Base interactions energy: -1719.343 where: short stacking energy: -716.376 Base-Backbone interact. energy: 2.685 local terms energy: -706.399475 where: bonds (distance) C4'-P energy: -122.240 bonds (distance) P-C4' energy: -115.230 flat angles C4'-P-C4' energy: -152.312 flat angles P-C4'-P energy: -96.582 tors. eta vs tors. theta energy: -220.035 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: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2274.031368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.031368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.031368 (E_RNA) where: Base-Base interactions energy: -1609.501 where: short stacking energy: -654.728 Base-Backbone interact. energy: -0.117 local terms energy: -664.413801 where: bonds (distance) C4'-P energy: -112.361 bonds (distance) P-C4' energy: -124.272 flat angles C4'-P-C4' energy: -151.127 flat angles P-C4'-P energy: -95.523 tors. eta vs tors. theta energy: -181.130 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: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2212.571216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.571216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.571216 (E_RNA) where: Base-Base interactions energy: -1573.166 where: short stacking energy: -618.868 Base-Backbone interact. energy: 0.789 local terms energy: -640.193260 where: bonds (distance) C4'-P energy: -103.968 bonds (distance) P-C4' energy: -102.771 flat angles C4'-P-C4' energy: -144.264 flat angles P-C4'-P energy: -101.249 tors. eta vs tors. theta energy: -187.942 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: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -2142.052486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.052486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.052486 (E_RNA) where: Base-Base interactions energy: -1525.260 where: short stacking energy: -628.067 Base-Backbone interact. energy: -1.329 local terms energy: -615.462807 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -125.704 flat angles C4'-P-C4' energy: -124.530 flat angles P-C4'-P energy: -79.331 tors. eta vs tors. theta energy: -171.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1951.255924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.255924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.255924 (E_RNA) where: Base-Base interactions energy: -1348.897 where: short stacking energy: -570.057 Base-Backbone interact. energy: -1.633 local terms energy: -600.725773 where: bonds (distance) C4'-P energy: -107.129 bonds (distance) P-C4' energy: -104.344 flat angles C4'-P-C4' energy: -134.653 flat angles P-C4'-P energy: -85.609 tors. eta vs tors. theta energy: -168.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -666.557468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.557468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.557468 (E_RNA) where: Base-Base interactions energy: -296.299 where: short stacking energy: -175.280 Base-Backbone interact. energy: 1.459 local terms energy: -371.716832 where: bonds (distance) C4'-P energy: -114.066 bonds (distance) P-C4' energy: -122.951 flat angles C4'-P-C4' energy: -96.629 flat angles P-C4'-P energy: -54.156 tors. eta vs tors. theta energy: 16.087 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: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2653.151236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.151236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.151236 (E_RNA) where: Base-Base interactions energy: -1887.607 where: short stacking energy: -780.746 Base-Backbone interact. energy: 0.698 local terms energy: -766.242726 where: bonds (distance) C4'-P energy: -134.979 bonds (distance) P-C4' energy: -136.573 flat angles C4'-P-C4' energy: -161.993 flat angles P-C4'-P energy: -104.528 tors. eta vs tors. theta energy: -228.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2649.511863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.511863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.511863 (E_RNA) where: Base-Base interactions energy: -1870.324 where: short stacking energy: -756.866 Base-Backbone interact. energy: -2.504 local terms energy: -776.683513 where: bonds (distance) C4'-P energy: -151.090 bonds (distance) P-C4' energy: -119.338 flat angles C4'-P-C4' energy: -156.892 flat angles P-C4'-P energy: -108.828 tors. eta vs tors. theta energy: -240.535 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: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2525.360258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.360258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.360258 (E_RNA) where: Base-Base interactions energy: -1791.134 where: short stacking energy: -745.065 Base-Backbone interact. energy: -2.396 local terms energy: -731.830080 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -140.707 flat angles C4'-P-C4' energy: -149.414 flat angles P-C4'-P energy: -97.744 tors. eta vs tors. theta energy: -231.492 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: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2439.150094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.150094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.150094 (E_RNA) where: Base-Base interactions energy: -1689.691 where: short stacking energy: -692.604 Base-Backbone interact. energy: 0.887 local terms energy: -750.346440 where: bonds (distance) C4'-P energy: -136.940 bonds (distance) P-C4' energy: -131.787 flat angles C4'-P-C4' energy: -148.574 flat angles P-C4'-P energy: -111.259 tors. eta vs tors. theta energy: -221.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2394.546490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.546490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.546490 (E_RNA) where: Base-Base interactions energy: -1692.985 where: short stacking energy: -707.902 Base-Backbone interact. energy: 0.135 local terms energy: -701.696616 where: bonds (distance) C4'-P energy: -121.339 bonds (distance) P-C4' energy: -115.108 flat angles C4'-P-C4' energy: -143.714 flat angles P-C4'-P energy: -100.176 tors. eta vs tors. theta energy: -221.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2305.449875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.449875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.449875 (E_RNA) where: Base-Base interactions energy: -1614.578 where: short stacking energy: -663.820 Base-Backbone interact. energy: -3.935 local terms energy: -686.937430 where: bonds (distance) C4'-P energy: -126.200 bonds (distance) P-C4' energy: -129.352 flat angles C4'-P-C4' energy: -145.992 flat angles P-C4'-P energy: -83.666 tors. eta vs tors. theta energy: -201.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2259.015456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.015456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.015456 (E_RNA) where: Base-Base interactions energy: -1597.250 where: short stacking energy: -658.210 Base-Backbone interact. energy: 1.472 local terms energy: -663.236911 where: bonds (distance) C4'-P energy: -121.032 bonds (distance) P-C4' energy: -115.652 flat angles C4'-P-C4' energy: -142.769 flat angles P-C4'-P energy: -82.677 tors. eta vs tors. theta energy: -201.107 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: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -2155.205197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.205197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.205197 (E_RNA) where: Base-Base interactions energy: -1556.502 where: short stacking energy: -630.457 Base-Backbone interact. energy: -2.402 local terms energy: -596.301084 where: bonds (distance) C4'-P energy: -111.709 bonds (distance) P-C4' energy: -104.566 flat angles C4'-P-C4' energy: -115.044 flat angles P-C4'-P energy: -84.708 tors. eta vs tors. theta energy: -180.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1983.185331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.185331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.185331 (E_RNA) where: Base-Base interactions energy: -1421.796 where: short stacking energy: -596.617 Base-Backbone interact. energy: -0.378 local terms energy: -561.011345 where: bonds (distance) C4'-P energy: -101.972 bonds (distance) P-C4' energy: -84.397 flat angles C4'-P-C4' energy: -123.953 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -173.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -758.893998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.893998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.893998 (E_RNA) where: Base-Base interactions energy: -369.834 where: short stacking energy: -213.410 Base-Backbone interact. energy: -1.552 local terms energy: -387.507588 where: bonds (distance) C4'-P energy: -106.904 bonds (distance) P-C4' energy: -110.914 flat angles C4'-P-C4' energy: -95.005 flat angles P-C4'-P energy: -62.273 tors. eta vs tors. theta energy: -12.411 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: 332 Temperature: 0.900000 Total energy: -2638.181539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.181539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.181539 (E_RNA) where: Base-Base interactions energy: -1883.009 where: short stacking energy: -763.686 Base-Backbone interact. energy: -3.037 local terms energy: -752.135829 where: bonds (distance) C4'-P energy: -140.208 bonds (distance) P-C4' energy: -126.982 flat angles C4'-P-C4' energy: -154.166 flat angles P-C4'-P energy: -110.710 tors. eta vs tors. theta energy: -220.069 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: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2644.280583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.280583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.280583 (E_RNA) where: Base-Base interactions energy: -1898.969 where: short stacking energy: -764.632 Base-Backbone interact. energy: -4.975 local terms energy: -740.336564 where: bonds (distance) C4'-P energy: -127.342 bonds (distance) P-C4' energy: -140.927 flat angles C4'-P-C4' energy: -149.060 flat angles P-C4'-P energy: -95.695 tors. eta vs tors. theta energy: -227.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2538.100161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.100161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.100161 (E_RNA) where: Base-Base interactions energy: -1813.587 where: short stacking energy: -746.906 Base-Backbone interact. energy: -1.932 local terms energy: -722.581142 where: bonds (distance) C4'-P energy: -134.789 bonds (distance) P-C4' energy: -130.923 flat angles C4'-P-C4' energy: -142.976 flat angles P-C4'-P energy: -88.121 tors. eta vs tors. theta energy: -225.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2431.754755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.754755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.754755 (E_RNA) where: Base-Base interactions energy: -1720.210 where: short stacking energy: -720.451 Base-Backbone interact. energy: -0.143 local terms energy: -711.401926 where: bonds (distance) C4'-P energy: -120.726 bonds (distance) P-C4' energy: -114.863 flat angles C4'-P-C4' energy: -150.151 flat angles P-C4'-P energy: -109.267 tors. eta vs tors. theta energy: -216.396 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: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2375.924557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.924557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.924557 (E_RNA) where: Base-Base interactions energy: -1679.169 where: short stacking energy: -695.805 Base-Backbone interact. energy: -1.391 local terms energy: -695.364263 where: bonds (distance) C4'-P energy: -129.852 bonds (distance) P-C4' energy: -113.493 flat angles C4'-P-C4' energy: -140.977 flat angles P-C4'-P energy: -104.825 tors. eta vs tors. theta energy: -206.217 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: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2285.855623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.855623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.855623 (E_RNA) where: Base-Base interactions energy: -1631.590 where: short stacking energy: -663.127 Base-Backbone interact. energy: -2.069 local terms energy: -652.197078 where: bonds (distance) C4'-P energy: -113.217 bonds (distance) P-C4' energy: -106.768 flat angles C4'-P-C4' energy: -141.555 flat angles P-C4'-P energy: -93.840 tors. eta vs tors. theta energy: -196.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2219.329421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.329421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.329421 (E_RNA) where: Base-Base interactions energy: -1587.772 where: short stacking energy: -631.537 Base-Backbone interact. energy: -1.283 local terms energy: -630.274001 where: bonds (distance) C4'-P energy: -97.125 bonds (distance) P-C4' energy: -104.193 flat angles C4'-P-C4' energy: -143.685 flat angles P-C4'-P energy: -92.694 tors. eta vs tors. theta energy: -192.577 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: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -2110.565272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.565272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.565272 (E_RNA) where: Base-Base interactions energy: -1505.666 where: short stacking energy: -603.185 Base-Backbone interact. energy: -2.485 local terms energy: -602.414406 where: bonds (distance) C4'-P energy: -112.354 bonds (distance) P-C4' energy: -104.402 flat angles C4'-P-C4' energy: -129.202 flat angles P-C4'-P energy: -88.278 tors. eta vs tors. theta energy: -168.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1915.735671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.735671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.735671 (E_RNA) where: Base-Base interactions energy: -1366.705 where: short stacking energy: -554.567 Base-Backbone interact. energy: -0.444 local terms energy: -548.587085 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -94.930 flat angles C4'-P-C4' energy: -134.311 flat angles P-C4'-P energy: -74.357 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: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -683.989852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.989852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.989852 (E_RNA) where: Base-Base interactions energy: -309.715 where: short stacking energy: -194.531 Base-Backbone interact. energy: 2.846 local terms energy: -377.121276 where: bonds (distance) C4'-P energy: -116.470 bonds (distance) P-C4' energy: -102.310 flat angles C4'-P-C4' energy: -105.375 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2623.177034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.177034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.177034 (E_RNA) where: Base-Base interactions energy: -1877.094 where: short stacking energy: -749.344 Base-Backbone interact. energy: -0.431 local terms energy: -745.651877 where: bonds (distance) C4'-P energy: -135.352 bonds (distance) P-C4' energy: -137.172 flat angles C4'-P-C4' energy: -154.288 flat angles P-C4'-P energy: -93.686 tors. eta vs tors. theta energy: -225.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2636.579268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.579268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.579268 (E_RNA) where: Base-Base interactions energy: -1880.131 where: short stacking energy: -754.859 Base-Backbone interact. energy: -1.226 local terms energy: -755.222727 where: bonds (distance) C4'-P energy: -119.019 bonds (distance) P-C4' energy: -134.608 flat angles C4'-P-C4' energy: -158.022 flat angles P-C4'-P energy: -107.539 tors. eta vs tors. theta energy: -236.035 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: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2510.762386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.762386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.762386 (E_RNA) where: Base-Base interactions energy: -1772.036 where: short stacking energy: -752.241 Base-Backbone interact. energy: -2.243 local terms energy: -736.482907 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -117.889 flat angles C4'-P-C4' energy: -144.142 flat angles P-C4'-P energy: -114.741 tors. eta vs tors. theta energy: -228.856 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: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2478.238682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.238682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.238682 (E_RNA) where: Base-Base interactions energy: -1757.209 where: short stacking energy: -716.490 Base-Backbone interact. energy: -0.516 local terms energy: -720.513457 where: bonds (distance) C4'-P energy: -116.097 bonds (distance) P-C4' energy: -128.425 flat angles C4'-P-C4' energy: -143.902 flat angles P-C4'-P energy: -106.406 tors. eta vs tors. theta energy: -225.684 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: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2400.010515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.010515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.010515 (E_RNA) where: Base-Base interactions energy: -1693.962 where: short stacking energy: -695.306 Base-Backbone interact. energy: -1.582 local terms energy: -704.466415 where: bonds (distance) C4'-P energy: -112.917 bonds (distance) P-C4' energy: -128.910 flat angles C4'-P-C4' energy: -143.202 flat angles P-C4'-P energy: -109.405 tors. eta vs tors. theta energy: -210.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2297.754507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.754507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.754507 (E_RNA) where: Base-Base interactions energy: -1613.332 where: short stacking energy: -656.729 Base-Backbone interact. energy: -0.530 local terms energy: -683.893021 where: bonds (distance) C4'-P energy: -111.044 bonds (distance) P-C4' energy: -138.053 flat angles C4'-P-C4' energy: -141.165 flat angles P-C4'-P energy: -93.623 tors. eta vs tors. theta energy: -200.008 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: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2239.760395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.760395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.760395 (E_RNA) where: Base-Base interactions energy: -1594.564 where: short stacking energy: -638.827 Base-Backbone interact. energy: 4.936 local terms energy: -650.132222 where: bonds (distance) C4'-P energy: -123.472 bonds (distance) P-C4' energy: -119.142 flat angles C4'-P-C4' energy: -133.027 flat angles P-C4'-P energy: -86.352 tors. eta vs tors. theta energy: -188.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -2135.670164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.670164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.670164 (E_RNA) where: Base-Base interactions energy: -1514.165 where: short stacking energy: -628.687 Base-Backbone interact. energy: 0.747 local terms energy: -622.252266 where: bonds (distance) C4'-P energy: -104.025 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -136.962 flat angles P-C4'-P energy: -83.732 tors. eta vs tors. theta energy: -181.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1922.874527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.874527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.874527 (E_RNA) where: Base-Base interactions energy: -1367.651 where: short stacking energy: -536.041 Base-Backbone interact. energy: 3.011 local terms energy: -558.234948 where: bonds (distance) C4'-P energy: -91.806 bonds (distance) P-C4' energy: -112.346 flat angles C4'-P-C4' energy: -123.123 flat angles P-C4'-P energy: -72.245 tors. eta vs tors. theta energy: -158.715 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: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -698.286128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.286128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.286128 (E_RNA) where: Base-Base interactions energy: -337.130 where: short stacking energy: -190.495 Base-Backbone interact. energy: 2.362 local terms energy: -363.517897 where: bonds (distance) C4'-P energy: -97.665 bonds (distance) P-C4' energy: -126.921 flat angles C4'-P-C4' energy: -81.526 flat angles P-C4'-P energy: -58.907 tors. eta vs tors. theta energy: 1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2715.165722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.165722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.165722 (E_RNA) where: Base-Base interactions energy: -1930.258 where: short stacking energy: -771.309 Base-Backbone interact. energy: -2.880 local terms energy: -782.027648 where: bonds (distance) C4'-P energy: -137.992 bonds (distance) P-C4' energy: -142.237 flat angles C4'-P-C4' energy: -157.717 flat angles P-C4'-P energy: -110.476 tors. eta vs tors. theta energy: -233.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2585.847457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.847457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.847457 (E_RNA) where: Base-Base interactions energy: -1853.661 where: short stacking energy: -759.016 Base-Backbone interact. energy: -2.088 local terms energy: -730.098695 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -134.445 flat angles C4'-P-C4' energy: -150.669 flat angles P-C4'-P energy: -98.112 tors. eta vs tors. theta energy: -217.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2525.374582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.374582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.374582 (E_RNA) where: Base-Base interactions energy: -1779.341 where: short stacking energy: -760.992 Base-Backbone interact. energy: -2.515 local terms energy: -743.518659 where: bonds (distance) C4'-P energy: -116.313 bonds (distance) P-C4' energy: -137.456 flat angles C4'-P-C4' energy: -159.039 flat angles P-C4'-P energy: -99.008 tors. eta vs tors. theta energy: -231.704 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: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2478.835208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.835208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.835208 (E_RNA) where: Base-Base interactions energy: -1755.332 where: short stacking energy: -718.811 Base-Backbone interact. energy: -4.750 local terms energy: -718.753532 where: bonds (distance) C4'-P energy: -120.777 bonds (distance) P-C4' energy: -110.289 flat angles C4'-P-C4' energy: -148.833 flat angles P-C4'-P energy: -111.768 tors. eta vs tors. theta energy: -227.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2370.744160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.744160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.744160 (E_RNA) where: Base-Base interactions energy: -1691.282 where: short stacking energy: -695.745 Base-Backbone interact. energy: 5.551 local terms energy: -685.013347 where: bonds (distance) C4'-P energy: -121.837 bonds (distance) P-C4' energy: -109.670 flat angles C4'-P-C4' energy: -143.003 flat angles P-C4'-P energy: -101.754 tors. eta vs tors. theta energy: -208.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2335.735858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.735858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.735858 (E_RNA) where: Base-Base interactions energy: -1646.906 where: short stacking energy: -661.811 Base-Backbone interact. energy: 0.477 local terms energy: -689.307009 where: bonds (distance) C4'-P energy: -109.329 bonds (distance) P-C4' energy: -121.262 flat angles C4'-P-C4' energy: -153.558 flat angles P-C4'-P energy: -103.939 tors. eta vs tors. theta energy: -201.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2233.429365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.429365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.429365 (E_RNA) where: Base-Base interactions energy: -1598.445 where: short stacking energy: -657.182 Base-Backbone interact. energy: 4.675 local terms energy: -639.659382 where: bonds (distance) C4'-P energy: -119.579 bonds (distance) P-C4' energy: -84.984 flat angles C4'-P-C4' energy: -143.170 flat angles P-C4'-P energy: -97.793 tors. eta vs tors. theta energy: -194.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -2138.141148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.141148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.141148 (E_RNA) where: Base-Base interactions energy: -1519.269 where: short stacking energy: -593.318 Base-Backbone interact. energy: -1.625 local terms energy: -617.247906 where: bonds (distance) C4'-P energy: -117.063 bonds (distance) P-C4' energy: -117.727 flat angles C4'-P-C4' energy: -129.470 flat angles P-C4'-P energy: -74.900 tors. eta vs tors. theta energy: -178.087 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: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1864.908145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.908145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.908145 (E_RNA) where: Base-Base interactions energy: -1320.779 where: short stacking energy: -533.129 Base-Backbone interact. energy: -1.875 local terms energy: -542.253362 where: bonds (distance) C4'-P energy: -98.250 bonds (distance) P-C4' energy: -101.369 flat angles C4'-P-C4' energy: -128.948 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -134.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -704.857585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.857585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.857585 (E_RNA) where: Base-Base interactions energy: -337.545 where: short stacking energy: -219.587 Base-Backbone interact. energy: -2.455 local terms energy: -364.857690 where: bonds (distance) C4'-P energy: -90.936 bonds (distance) P-C4' energy: -121.880 flat angles C4'-P-C4' energy: -87.169 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -14.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2677.037503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.037503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.037503 (E_RNA) where: Base-Base interactions energy: -1902.785 where: short stacking energy: -765.113 Base-Backbone interact. energy: -1.338 local terms energy: -772.914508 where: bonds (distance) C4'-P energy: -137.008 bonds (distance) P-C4' energy: -138.283 flat angles C4'-P-C4' energy: -156.013 flat angles P-C4'-P energy: -108.884 tors. eta vs tors. theta energy: -232.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2583.333171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.333171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.333171 (E_RNA) where: Base-Base interactions energy: -1841.585 where: short stacking energy: -760.400 Base-Backbone interact. energy: -1.253 local terms energy: -740.495633 where: bonds (distance) C4'-P energy: -132.313 bonds (distance) P-C4' energy: -130.529 flat angles C4'-P-C4' energy: -153.477 flat angles P-C4'-P energy: -100.940 tors. eta vs tors. theta energy: -223.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2478.331038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.331038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.331038 (E_RNA) where: Base-Base interactions energy: -1755.253 where: short stacking energy: -722.049 Base-Backbone interact. energy: -0.979 local terms energy: -722.099536 where: bonds (distance) C4'-P energy: -111.346 bonds (distance) P-C4' energy: -136.977 flat angles C4'-P-C4' energy: -151.689 flat angles P-C4'-P energy: -109.401 tors. eta vs tors. theta energy: -212.687 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: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2450.419353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.419353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.419353 (E_RNA) where: Base-Base interactions energy: -1743.326 where: short stacking energy: -710.237 Base-Backbone interact. energy: -1.428 local terms energy: -705.665197 where: bonds (distance) C4'-P energy: -111.873 bonds (distance) P-C4' energy: -131.730 flat angles C4'-P-C4' energy: -140.859 flat angles P-C4'-P energy: -99.767 tors. eta vs tors. theta energy: -221.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2367.140020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.140020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.140020 (E_RNA) where: Base-Base interactions energy: -1653.695 where: short stacking energy: -675.899 Base-Backbone interact. energy: -2.245 local terms energy: -711.200161 where: bonds (distance) C4'-P energy: -117.818 bonds (distance) P-C4' energy: -125.151 flat angles C4'-P-C4' energy: -152.045 flat angles P-C4'-P energy: -101.319 tors. eta vs tors. theta energy: -214.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2331.725886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.725886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.725886 (E_RNA) where: Base-Base interactions energy: -1656.072 where: short stacking energy: -665.206 Base-Backbone interact. energy: 1.284 local terms energy: -676.937685 where: bonds (distance) C4'-P energy: -101.769 bonds (distance) P-C4' energy: -116.171 flat angles C4'-P-C4' energy: -142.023 flat angles P-C4'-P energy: -103.884 tors. eta vs tors. theta energy: -213.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2201.816815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.816815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.816815 (E_RNA) where: Base-Base interactions energy: -1567.537 where: short stacking energy: -635.106 Base-Backbone interact. energy: 3.185 local terms energy: -637.464762 where: bonds (distance) C4'-P energy: -96.617 bonds (distance) P-C4' energy: -111.768 flat angles C4'-P-C4' energy: -142.904 flat angles P-C4'-P energy: -93.232 tors. eta vs tors. theta energy: -192.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -2117.428502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.428502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.428502 (E_RNA) where: Base-Base interactions energy: -1495.018 where: short stacking energy: -599.237 Base-Backbone interact. energy: -0.774 local terms energy: -621.637306 where: bonds (distance) C4'-P energy: -107.679 bonds (distance) P-C4' energy: -116.361 flat angles C4'-P-C4' energy: -132.106 flat angles P-C4'-P energy: -96.742 tors. eta vs tors. theta energy: -168.751 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1880.204609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.204609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.204609 (E_RNA) where: Base-Base interactions energy: -1311.954 where: short stacking energy: -536.939 Base-Backbone interact. energy: -0.773 local terms energy: -567.478260 where: bonds (distance) C4'-P energy: -109.088 bonds (distance) P-C4' energy: -113.490 flat angles C4'-P-C4' energy: -117.387 flat angles P-C4'-P energy: -78.119 tors. eta vs tors. theta energy: -149.394 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: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -711.612045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.612045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.612045 (E_RNA) where: Base-Base interactions energy: -337.999 where: short stacking energy: -204.856 Base-Backbone interact. energy: 0.389 local terms energy: -374.001210 where: bonds (distance) C4'-P energy: -113.565 bonds (distance) P-C4' energy: -108.763 flat angles C4'-P-C4' energy: -91.935 flat angles P-C4'-P energy: -58.439 tors. eta vs tors. theta energy: -1.300 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: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2692.253824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.253824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.253824 (E_RNA) where: Base-Base interactions energy: -1931.891 where: short stacking energy: -772.144 Base-Backbone interact. energy: -0.814 local terms energy: -759.549073 where: bonds (distance) C4'-P energy: -120.661 bonds (distance) P-C4' energy: -136.181 flat angles C4'-P-C4' energy: -163.321 flat angles P-C4'-P energy: -102.973 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: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2584.227549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.227549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.227549 (E_RNA) where: Base-Base interactions energy: -1850.922 where: short stacking energy: -766.745 Base-Backbone interact. energy: 0.715 local terms energy: -734.020607 where: bonds (distance) C4'-P energy: -123.261 bonds (distance) P-C4' energy: -142.721 flat angles C4'-P-C4' energy: -154.897 flat angles P-C4'-P energy: -97.970 tors. eta vs tors. theta energy: -215.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2489.700294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.700294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.700294 (E_RNA) where: Base-Base interactions energy: -1758.038 where: short stacking energy: -707.555 Base-Backbone interact. energy: -1.612 local terms energy: -730.050131 where: bonds (distance) C4'-P energy: -125.956 bonds (distance) P-C4' energy: -118.779 flat angles C4'-P-C4' energy: -158.902 flat angles P-C4'-P energy: -106.373 tors. eta vs tors. theta energy: -220.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2450.452644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.452644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.452644 (E_RNA) where: Base-Base interactions energy: -1722.515 where: short stacking energy: -709.212 Base-Backbone interact. energy: 0.423 local terms energy: -728.360363 where: bonds (distance) C4'-P energy: -125.264 bonds (distance) P-C4' energy: -131.291 flat angles C4'-P-C4' energy: -153.898 flat angles P-C4'-P energy: -103.219 tors. eta vs tors. theta energy: -214.688 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: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2364.143280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.143280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.143280 (E_RNA) where: Base-Base interactions energy: -1692.207 where: short stacking energy: -703.390 Base-Backbone interact. energy: -2.611 local terms energy: -669.325700 where: bonds (distance) C4'-P energy: -115.233 bonds (distance) P-C4' energy: -96.598 flat angles C4'-P-C4' energy: -148.527 flat angles P-C4'-P energy: -101.231 tors. eta vs tors. theta energy: -207.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2324.842547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.842547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.842547 (E_RNA) where: Base-Base interactions energy: -1658.237 where: short stacking energy: -675.012 Base-Backbone interact. energy: -0.423 local terms energy: -666.182738 where: bonds (distance) C4'-P energy: -117.286 bonds (distance) P-C4' energy: -109.442 flat angles C4'-P-C4' energy: -140.216 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -203.886 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: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2186.396938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.396938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.396938 (E_RNA) where: Base-Base interactions energy: -1546.909 where: short stacking energy: -621.170 Base-Backbone interact. energy: -0.116 local terms energy: -639.371672 where: bonds (distance) C4'-P energy: -128.607 bonds (distance) P-C4' energy: -119.673 flat angles C4'-P-C4' energy: -125.084 flat angles P-C4'-P energy: -86.646 tors. eta vs tors. theta energy: -179.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -2120.550433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.550433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.550433 (E_RNA) where: Base-Base interactions energy: -1492.028 where: short stacking energy: -618.545 Base-Backbone interact. energy: -1.532 local terms energy: -626.990224 where: bonds (distance) C4'-P energy: -117.069 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -136.836 flat angles P-C4'-P energy: -79.945 tors. eta vs tors. theta energy: -185.401 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: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1841.811311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.811311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.811311 (E_RNA) where: Base-Base interactions energy: -1290.140 where: short stacking energy: -512.639 Base-Backbone interact. energy: -2.712 local terms energy: -548.958746 where: bonds (distance) C4'-P energy: -103.972 bonds (distance) P-C4' energy: -100.810 flat angles C4'-P-C4' energy: -115.916 flat angles P-C4'-P energy: -77.889 tors. eta vs tors. theta energy: -150.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -646.501116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.501116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.501116 (E_RNA) where: Base-Base interactions energy: -302.280 where: short stacking energy: -185.461 Base-Backbone interact. energy: 0.527 local terms energy: -344.748123 where: bonds (distance) C4'-P energy: -101.258 bonds (distance) P-C4' energy: -120.163 flat angles C4'-P-C4' energy: -85.540 flat angles P-C4'-P energy: -48.062 tors. eta vs tors. theta energy: 10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2693.703214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.703214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.703214 (E_RNA) where: Base-Base interactions energy: -1926.514 where: short stacking energy: -763.317 Base-Backbone interact. energy: -1.396 local terms energy: -765.793479 where: bonds (distance) C4'-P energy: -134.930 bonds (distance) P-C4' energy: -133.149 flat angles C4'-P-C4' energy: -159.251 flat angles P-C4'-P energy: -103.640 tors. eta vs tors. theta energy: -234.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2616.748150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.748150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.748150 (E_RNA) where: Base-Base interactions energy: -1867.969 where: short stacking energy: -751.105 Base-Backbone interact. energy: -0.131 local terms energy: -748.648087 where: bonds (distance) C4'-P energy: -145.746 bonds (distance) P-C4' energy: -116.476 flat angles C4'-P-C4' energy: -156.758 flat angles P-C4'-P energy: -108.853 tors. eta vs tors. theta energy: -220.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2518.695105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.695105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.695105 (E_RNA) where: Base-Base interactions energy: -1795.498 where: short stacking energy: -743.119 Base-Backbone interact. energy: -0.220 local terms energy: -722.977632 where: bonds (distance) C4'-P energy: -129.842 bonds (distance) P-C4' energy: -122.539 flat angles C4'-P-C4' energy: -150.392 flat angles P-C4'-P energy: -95.905 tors. eta vs tors. theta energy: -224.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2436.007970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.007970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.007970 (E_RNA) where: Base-Base interactions energy: -1730.523 where: short stacking energy: -709.125 Base-Backbone interact. energy: -1.425 local terms energy: -704.059847 where: bonds (distance) C4'-P energy: -119.721 bonds (distance) P-C4' energy: -132.334 flat angles C4'-P-C4' energy: -138.823 flat angles P-C4'-P energy: -92.472 tors. eta vs tors. theta energy: -220.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2402.427450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.427450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.427450 (E_RNA) where: Base-Base interactions energy: -1729.333 where: short stacking energy: -708.654 Base-Backbone interact. energy: -0.249 local terms energy: -672.845273 where: bonds (distance) C4'-P energy: -122.364 bonds (distance) P-C4' energy: -109.896 flat angles C4'-P-C4' energy: -146.870 flat angles P-C4'-P energy: -83.390 tors. eta vs tors. theta energy: -210.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2320.703043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.703043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.703043 (E_RNA) where: Base-Base interactions energy: -1641.568 where: short stacking energy: -686.097 Base-Backbone interact. energy: -0.576 local terms energy: -678.558357 where: bonds (distance) C4'-P energy: -121.560 bonds (distance) P-C4' energy: -115.128 flat angles C4'-P-C4' energy: -150.029 flat angles P-C4'-P energy: -79.089 tors. eta vs tors. theta energy: -212.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2125.787350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.787350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.787350 (E_RNA) where: Base-Base interactions energy: -1506.635 where: short stacking energy: -602.978 Base-Backbone interact. energy: -1.135 local terms energy: -618.017955 where: bonds (distance) C4'-P energy: -119.033 bonds (distance) P-C4' energy: -110.138 flat angles C4'-P-C4' energy: -136.224 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -167.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -2110.582402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.582402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.582402 (E_RNA) where: Base-Base interactions energy: -1504.763 where: short stacking energy: -614.035 Base-Backbone interact. energy: -2.325 local terms energy: -603.494835 where: bonds (distance) C4'-P energy: -107.506 bonds (distance) P-C4' energy: -91.424 flat angles C4'-P-C4' energy: -127.110 flat angles P-C4'-P energy: -97.151 tors. eta vs tors. theta energy: -180.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1868.744088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.744088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.744088 (E_RNA) where: Base-Base interactions energy: -1329.076 where: short stacking energy: -532.996 Base-Backbone interact. energy: -1.627 local terms energy: -538.041499 where: bonds (distance) C4'-P energy: -104.085 bonds (distance) P-C4' energy: -107.348 flat angles C4'-P-C4' energy: -118.611 flat angles P-C4'-P energy: -61.590 tors. eta vs tors. theta energy: -146.407 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: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -719.217250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.217250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.217250 (E_RNA) where: Base-Base interactions energy: -345.276 where: short stacking energy: -211.416 Base-Backbone interact. energy: -0.991 local terms energy: -372.949545 where: bonds (distance) C4'-P energy: -101.170 bonds (distance) P-C4' energy: -113.240 flat angles C4'-P-C4' energy: -93.470 flat angles P-C4'-P energy: -58.626 tors. eta vs tors. theta energy: -6.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2681.396498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.396498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.396498 (E_RNA) where: Base-Base interactions energy: -1913.173 where: short stacking energy: -771.254 Base-Backbone interact. energy: 1.705 local terms energy: -769.928878 where: bonds (distance) C4'-P energy: -139.312 bonds (distance) P-C4' energy: -134.850 flat angles C4'-P-C4' energy: -157.963 flat angles P-C4'-P energy: -104.292 tors. eta vs tors. theta energy: -233.512 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: 338 Temperature: 0.950000 Total energy: -2609.110302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.110302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.110302 (E_RNA) where: Base-Base interactions energy: -1858.983 where: short stacking energy: -748.280 Base-Backbone interact. energy: -1.236 local terms energy: -748.890872 where: bonds (distance) C4'-P energy: -128.099 bonds (distance) P-C4' energy: -126.939 flat angles C4'-P-C4' energy: -162.516 flat angles P-C4'-P energy: -106.415 tors. eta vs tors. theta energy: -224.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2569.566504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.566504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.566504 (E_RNA) where: Base-Base interactions energy: -1812.065 where: short stacking energy: -764.483 Base-Backbone interact. energy: 1.877 local terms energy: -759.378648 where: bonds (distance) C4'-P energy: -134.853 bonds (distance) P-C4' energy: -124.754 flat angles C4'-P-C4' energy: -148.839 flat angles P-C4'-P energy: -112.701 tors. eta vs tors. theta energy: -238.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2430.157363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.157363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.157363 (E_RNA) where: Base-Base interactions energy: -1703.241 where: short stacking energy: -695.387 Base-Backbone interact. energy: -2.881 local terms energy: -724.035491 where: bonds (distance) C4'-P energy: -111.425 bonds (distance) P-C4' energy: -135.312 flat angles C4'-P-C4' energy: -146.072 flat angles P-C4'-P energy: -109.814 tors. eta vs tors. theta energy: -221.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2394.162790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.162790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.162790 (E_RNA) where: Base-Base interactions energy: -1703.682 where: short stacking energy: -693.636 Base-Backbone interact. energy: 3.862 local terms energy: -694.343571 where: bonds (distance) C4'-P energy: -119.118 bonds (distance) P-C4' energy: -129.558 flat angles C4'-P-C4' energy: -142.241 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -204.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2290.066156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.066156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.066156 (E_RNA) where: Base-Base interactions energy: -1613.470 where: short stacking energy: -651.576 Base-Backbone interact. energy: -1.679 local terms energy: -674.917779 where: bonds (distance) C4'-P energy: -120.923 bonds (distance) P-C4' energy: -106.929 flat angles C4'-P-C4' energy: -141.819 flat angles P-C4'-P energy: -95.067 tors. eta vs tors. theta energy: -210.180 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: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2216.182158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.182158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.182158 (E_RNA) where: Base-Base interactions energy: -1562.292 where: short stacking energy: -624.193 Base-Backbone interact. energy: -0.453 local terms energy: -653.436679 where: bonds (distance) C4'-P energy: -110.115 bonds (distance) P-C4' energy: -118.669 flat angles C4'-P-C4' energy: -137.727 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -180.855 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: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -2123.712262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.712262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.712262 (E_RNA) where: Base-Base interactions energy: -1497.287 where: short stacking energy: -626.595 Base-Backbone interact. energy: 1.400 local terms energy: -627.825989 where: bonds (distance) C4'-P energy: -104.621 bonds (distance) P-C4' energy: -125.319 flat angles C4'-P-C4' energy: -145.829 flat angles P-C4'-P energy: -65.052 tors. eta vs tors. theta energy: -187.005 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: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1863.663936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.663936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.663936 (E_RNA) where: Base-Base interactions energy: -1328.036 where: short stacking energy: -526.041 Base-Backbone interact. energy: 0.308 local terms energy: -535.935911 where: bonds (distance) C4'-P energy: -96.832 bonds (distance) P-C4' energy: -112.051 flat angles C4'-P-C4' energy: -129.870 flat angles P-C4'-P energy: -74.877 tors. eta vs tors. theta energy: -122.307 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: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -738.566490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.566490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.566490 (E_RNA) where: Base-Base interactions energy: -377.647 where: short stacking energy: -223.992 Base-Backbone interact. energy: 2.758 local terms energy: -363.677396 where: bonds (distance) C4'-P energy: -111.277 bonds (distance) P-C4' energy: -99.475 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -67.679 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: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2689.139611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.139611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.139611 (E_RNA) where: Base-Base interactions energy: -1923.298 where: short stacking energy: -768.651 Base-Backbone interact. energy: 1.254 local terms energy: -767.095514 where: bonds (distance) C4'-P energy: -125.290 bonds (distance) P-C4' energy: -139.390 flat angles C4'-P-C4' energy: -156.277 flat angles P-C4'-P energy: -111.857 tors. eta vs tors. theta energy: -234.281 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: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2594.614932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.614932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.614932 (E_RNA) where: Base-Base interactions energy: -1844.965 where: short stacking energy: -763.360 Base-Backbone interact. energy: -2.734 local terms energy: -746.915923 where: bonds (distance) C4'-P energy: -120.955 bonds (distance) P-C4' energy: -127.717 flat angles C4'-P-C4' energy: -155.567 flat angles P-C4'-P energy: -103.932 tors. eta vs tors. theta energy: -238.745 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: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2545.661090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.661090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.661090 (E_RNA) where: Base-Base interactions energy: -1804.614 where: short stacking energy: -728.756 Base-Backbone interact. energy: 0.866 local terms energy: -741.913878 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -141.139 flat angles C4'-P-C4' energy: -154.681 flat angles P-C4'-P energy: -100.362 tors. eta vs tors. theta energy: -217.721 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: 339 Temperature: 1.050000 Total energy: -2481.341046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.341046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.341046 (E_RNA) where: Base-Base interactions energy: -1778.200 where: short stacking energy: -730.149 Base-Backbone interact. energy: -1.875 local terms energy: -701.265101 where: bonds (distance) C4'-P energy: -113.571 bonds (distance) P-C4' energy: -114.467 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -96.285 tors. eta vs tors. theta energy: -220.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2356.832069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.832069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.832069 (E_RNA) where: Base-Base interactions energy: -1661.143 where: short stacking energy: -695.235 Base-Backbone interact. energy: -1.931 local terms energy: -693.758391 where: bonds (distance) C4'-P energy: -127.711 bonds (distance) P-C4' energy: -122.265 flat angles C4'-P-C4' energy: -147.442 flat angles P-C4'-P energy: -83.227 tors. eta vs tors. theta energy: -213.113 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: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2331.521335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.521335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.521335 (E_RNA) where: Base-Base interactions energy: -1672.066 where: short stacking energy: -697.097 Base-Backbone interact. energy: -1.301 local terms energy: -658.154368 where: bonds (distance) C4'-P energy: -120.059 bonds (distance) P-C4' energy: -101.403 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -86.672 tors. eta vs tors. theta energy: -213.816 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: 339 Temperature: 1.200000 Total energy: -2201.674807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.674807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.674807 (E_RNA) where: Base-Base interactions energy: -1552.069 where: short stacking energy: -621.541 Base-Backbone interact. energy: 1.381 local terms energy: -650.987547 where: bonds (distance) C4'-P energy: -121.643 bonds (distance) P-C4' energy: -112.784 flat angles C4'-P-C4' energy: -150.110 flat angles P-C4'-P energy: -86.290 tors. eta vs tors. theta energy: -180.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -2121.618168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.618168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.618168 (E_RNA) where: Base-Base interactions energy: -1537.823 where: short stacking energy: -616.489 Base-Backbone interact. energy: 1.793 local terms energy: -585.588079 where: bonds (distance) C4'-P energy: -117.384 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -121.603 flat angles P-C4'-P energy: -67.348 tors. eta vs tors. theta energy: -175.970 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: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1874.433407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.433407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.433407 (E_RNA) where: Base-Base interactions energy: -1315.562 where: short stacking energy: -553.903 Base-Backbone interact. energy: -0.618 local terms energy: -558.254006 where: bonds (distance) C4'-P energy: -95.514 bonds (distance) P-C4' energy: -121.810 flat angles C4'-P-C4' energy: -107.001 flat angles P-C4'-P energy: -76.419 tors. eta vs tors. theta energy: -157.510 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: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -675.557004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.557004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.557004 (E_RNA) where: Base-Base interactions energy: -320.515 where: short stacking energy: -173.329 Base-Backbone interact. energy: -1.080 local terms energy: -353.962412 where: bonds (distance) C4'-P energy: -106.329 bonds (distance) P-C4' energy: -114.281 flat angles C4'-P-C4' energy: -94.364 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: 11.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2664.255064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.255064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.255064 (E_RNA) where: Base-Base interactions energy: -1890.855 where: short stacking energy: -754.781 Base-Backbone interact. energy: -2.978 local terms energy: -770.422228 where: bonds (distance) C4'-P energy: -144.159 bonds (distance) P-C4' energy: -133.778 flat angles C4'-P-C4' energy: -151.128 flat angles P-C4'-P energy: -108.353 tors. eta vs tors. theta energy: -233.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2610.453070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.453070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.453070 (E_RNA) where: Base-Base interactions energy: -1867.038 where: short stacking energy: -784.735 Base-Backbone interact. energy: -1.638 local terms energy: -741.777227 where: bonds (distance) C4'-P energy: -120.446 bonds (distance) P-C4' energy: -136.296 flat angles C4'-P-C4' energy: -150.193 flat angles P-C4'-P energy: -100.121 tors. eta vs tors. theta energy: -234.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2561.613448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.613448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.613448 (E_RNA) where: Base-Base interactions energy: -1825.884 where: short stacking energy: -748.454 Base-Backbone interact. energy: -0.925 local terms energy: -734.804447 where: bonds (distance) C4'-P energy: -123.666 bonds (distance) P-C4' energy: -127.302 flat angles C4'-P-C4' energy: -149.072 flat angles P-C4'-P energy: -113.901 tors. eta vs tors. theta energy: -220.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2459.680641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.680641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.680641 (E_RNA) where: Base-Base interactions energy: -1719.912 where: short stacking energy: -705.652 Base-Backbone interact. energy: -2.256 local terms energy: -737.511894 where: bonds (distance) C4'-P energy: -122.458 bonds (distance) P-C4' energy: -126.494 flat angles C4'-P-C4' energy: -157.141 flat angles P-C4'-P energy: -106.434 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: 340 Temperature: 1.100000 Total energy: -2395.165999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.165999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.165999 (E_RNA) where: Base-Base interactions energy: -1716.347 where: short stacking energy: -714.186 Base-Backbone interact. energy: 4.443 local terms energy: -683.261912 where: bonds (distance) C4'-P energy: -113.600 bonds (distance) P-C4' energy: -100.896 flat angles C4'-P-C4' energy: -149.224 flat angles P-C4'-P energy: -97.516 tors. eta vs tors. theta energy: -222.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2294.642516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.642516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.642516 (E_RNA) where: Base-Base interactions energy: -1616.361 where: short stacking energy: -641.367 Base-Backbone interact. energy: 1.086 local terms energy: -679.367328 where: bonds (distance) C4'-P energy: -116.836 bonds (distance) P-C4' energy: -135.638 flat angles C4'-P-C4' energy: -135.378 flat angles P-C4'-P energy: -97.672 tors. eta vs tors. theta energy: -193.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2183.171068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.171068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.171068 (E_RNA) where: Base-Base interactions energy: -1538.398 where: short stacking energy: -636.835 Base-Backbone interact. energy: -3.454 local terms energy: -641.319113 where: bonds (distance) C4'-P energy: -104.877 bonds (distance) P-C4' energy: -112.831 flat angles C4'-P-C4' energy: -149.406 flat angles P-C4'-P energy: -92.893 tors. eta vs tors. theta energy: -181.312 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: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -2128.033262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.033262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.033262 (E_RNA) where: Base-Base interactions energy: -1529.259 where: short stacking energy: -619.184 Base-Backbone interact. energy: -1.980 local terms energy: -596.793926 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -122.219 flat angles P-C4'-P energy: -100.945 tors. eta vs tors. theta energy: -177.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1915.909750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.909750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.909750 (E_RNA) where: Base-Base interactions energy: -1324.064 where: short stacking energy: -560.091 Base-Backbone interact. energy: -0.311 local terms energy: -591.534890 where: bonds (distance) C4'-P energy: -94.708 bonds (distance) P-C4' energy: -128.696 flat angles C4'-P-C4' energy: -114.605 flat angles P-C4'-P energy: -88.892 tors. eta vs tors. theta energy: -164.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -672.445421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.445421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.445421 (E_RNA) where: Base-Base interactions energy: -290.681 where: short stacking energy: -191.085 Base-Backbone interact. energy: -1.726 local terms energy: -380.038604 where: bonds (distance) C4'-P energy: -115.394 bonds (distance) P-C4' energy: -108.545 flat angles C4'-P-C4' energy: -103.972 flat angles P-C4'-P energy: -52.553 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2678.747416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.747416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.747416 (E_RNA) where: Base-Base interactions energy: -1908.098 where: short stacking energy: -764.397 Base-Backbone interact. energy: -1.654 local terms energy: -768.995891 where: bonds (distance) C4'-P energy: -121.723 bonds (distance) P-C4' energy: -139.919 flat angles C4'-P-C4' energy: -164.570 flat angles P-C4'-P energy: -106.266 tors. eta vs tors. theta energy: -236.517 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: 341 Temperature: 0.950000 Total energy: -2599.887281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.887281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.887281 (E_RNA) where: Base-Base interactions energy: -1831.741 where: short stacking energy: -738.090 Base-Backbone interact. energy: -0.911 local terms energy: -767.235812 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -147.482 flat angles C4'-P-C4' energy: -154.718 flat angles P-C4'-P energy: -119.299 tors. eta vs tors. theta energy: -224.068 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: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2557.322464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.322464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.322464 (E_RNA) where: Base-Base interactions energy: -1829.339 where: short stacking energy: -755.408 Base-Backbone interact. energy: -2.346 local terms energy: -725.637199 where: bonds (distance) C4'-P energy: -115.906 bonds (distance) P-C4' energy: -133.626 flat angles C4'-P-C4' energy: -148.742 flat angles P-C4'-P energy: -93.409 tors. eta vs tors. theta energy: -233.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2453.098336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.098336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.098336 (E_RNA) where: Base-Base interactions energy: -1763.465 where: short stacking energy: -747.753 Base-Backbone interact. energy: 0.772 local terms energy: -690.404867 where: bonds (distance) C4'-P energy: -103.248 bonds (distance) P-C4' energy: -121.432 flat angles C4'-P-C4' energy: -144.093 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -224.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2388.563517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.563517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.563517 (E_RNA) where: Base-Base interactions energy: -1700.085 where: short stacking energy: -692.758 Base-Backbone interact. energy: -1.583 local terms energy: -686.894824 where: bonds (distance) C4'-P energy: -109.170 bonds (distance) P-C4' energy: -122.769 flat angles C4'-P-C4' energy: -147.903 flat angles P-C4'-P energy: -99.010 tors. eta vs tors. theta energy: -208.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2259.666181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.666181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.666181 (E_RNA) where: Base-Base interactions energy: -1610.749 where: short stacking energy: -664.118 Base-Backbone interact. energy: -0.511 local terms energy: -648.406205 where: bonds (distance) C4'-P energy: -122.989 bonds (distance) P-C4' energy: -103.657 flat angles C4'-P-C4' energy: -134.859 flat angles P-C4'-P energy: -85.659 tors. eta vs tors. theta energy: -201.241 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: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2211.051967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.051967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.051967 (E_RNA) where: Base-Base interactions energy: -1557.398 where: short stacking energy: -643.882 Base-Backbone interact. energy: 3.755 local terms energy: -657.408956 where: bonds (distance) C4'-P energy: -121.166 bonds (distance) P-C4' energy: -124.932 flat angles C4'-P-C4' energy: -127.296 flat angles P-C4'-P energy: -79.039 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: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -2095.773584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.773584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.773584 (E_RNA) where: Base-Base interactions energy: -1501.426 where: short stacking energy: -611.528 Base-Backbone interact. energy: 5.307 local terms energy: -599.653676 where: bonds (distance) C4'-P energy: -109.797 bonds (distance) P-C4' energy: -100.126 flat angles C4'-P-C4' energy: -127.548 flat angles P-C4'-P energy: -91.479 tors. eta vs tors. theta energy: -170.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1944.037330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.037330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.037330 (E_RNA) where: Base-Base interactions energy: -1368.954 where: short stacking energy: -546.899 Base-Backbone interact. energy: 4.001 local terms energy: -579.084190 where: bonds (distance) C4'-P energy: -102.559 bonds (distance) P-C4' energy: -105.408 flat angles C4'-P-C4' energy: -134.115 flat angles P-C4'-P energy: -79.458 tors. eta vs tors. theta energy: -157.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -718.303472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.303472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.303472 (E_RNA) where: Base-Base interactions energy: -360.740 where: short stacking energy: -225.164 Base-Backbone interact. energy: -0.561 local terms energy: -357.002161 where: bonds (distance) C4'-P energy: -85.421 bonds (distance) P-C4' energy: -127.930 flat angles C4'-P-C4' energy: -93.467 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: 1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2707.326746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.326746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.326746 (E_RNA) where: Base-Base interactions energy: -1951.051 where: short stacking energy: -784.506 Base-Backbone interact. energy: 0.683 local terms energy: -756.959003 where: bonds (distance) C4'-P energy: -136.247 bonds (distance) P-C4' energy: -124.962 flat angles C4'-P-C4' energy: -162.560 flat angles P-C4'-P energy: -100.415 tors. eta vs tors. theta energy: -232.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2601.558791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.558791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.558791 (E_RNA) where: Base-Base interactions energy: -1852.588 where: short stacking energy: -754.485 Base-Backbone interact. energy: -1.996 local terms energy: -746.975131 where: bonds (distance) C4'-P energy: -125.814 bonds (distance) P-C4' energy: -134.141 flat angles C4'-P-C4' energy: -157.809 flat angles P-C4'-P energy: -107.440 tors. eta vs tors. theta energy: -221.772 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: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2571.011419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.011419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.011419 (E_RNA) where: Base-Base interactions energy: -1832.582 where: short stacking energy: -740.427 Base-Backbone interact. energy: -2.474 local terms energy: -735.956043 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -142.911 flat angles C4'-P-C4' energy: -138.068 flat angles P-C4'-P energy: -107.852 tors. eta vs tors. theta energy: -228.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2466.794152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.794152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.794152 (E_RNA) where: Base-Base interactions energy: -1777.871 where: short stacking energy: -751.648 Base-Backbone interact. energy: 2.369 local terms energy: -691.291977 where: bonds (distance) C4'-P energy: -113.042 bonds (distance) P-C4' energy: -109.624 flat angles C4'-P-C4' energy: -142.474 flat angles P-C4'-P energy: -99.530 tors. eta vs tors. theta energy: -226.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2401.910229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.910229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.910229 (E_RNA) where: Base-Base interactions energy: -1691.407 where: short stacking energy: -703.719 Base-Backbone interact. energy: 1.564 local terms energy: -712.067392 where: bonds (distance) C4'-P energy: -128.238 bonds (distance) P-C4' energy: -115.083 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -106.088 tors. eta vs tors. theta energy: -218.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2252.651478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.651478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.651478 (E_RNA) where: Base-Base interactions energy: -1584.239 where: short stacking energy: -661.190 Base-Backbone interact. energy: -0.703 local terms energy: -667.709577 where: bonds (distance) C4'-P energy: -115.937 bonds (distance) P-C4' energy: -119.425 flat angles C4'-P-C4' energy: -135.550 flat angles P-C4'-P energy: -100.873 tors. eta vs tors. theta energy: -195.925 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: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2158.476761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.476761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.476761 (E_RNA) where: Base-Base interactions energy: -1551.080 where: short stacking energy: -642.058 Base-Backbone interact. energy: -0.442 local terms energy: -606.953852 where: bonds (distance) C4'-P energy: -108.713 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -122.161 flat angles P-C4'-P energy: -95.651 tors. eta vs tors. theta energy: -190.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -2142.948899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.948899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.948899 (E_RNA) where: Base-Base interactions energy: -1532.476 where: short stacking energy: -602.972 Base-Backbone interact. energy: -1.736 local terms energy: -608.736842 where: bonds (distance) C4'-P energy: -95.256 bonds (distance) P-C4' energy: -111.937 flat angles C4'-P-C4' energy: -139.779 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -181.912 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: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1905.429716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.429716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.429716 (E_RNA) where: Base-Base interactions energy: -1350.906 where: short stacking energy: -542.193 Base-Backbone interact. energy: 3.405 local terms energy: -557.928092 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -100.676 flat angles C4'-P-C4' energy: -112.676 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -149.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -673.641409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.641409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.641409 (E_RNA) where: Base-Base interactions energy: -317.702 where: short stacking energy: -167.363 Base-Backbone interact. energy: 5.275 local terms energy: -361.214641 where: bonds (distance) C4'-P energy: -113.387 bonds (distance) P-C4' energy: -126.920 flat angles C4'-P-C4' energy: -81.497 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: 16.969 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: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2700.834375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.834375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.834375 (E_RNA) where: Base-Base interactions energy: -1910.151 where: short stacking energy: -764.746 Base-Backbone interact. energy: -1.800 local terms energy: -788.883420 where: bonds (distance) C4'-P energy: -130.558 bonds (distance) P-C4' energy: -142.876 flat angles C4'-P-C4' energy: -163.717 flat angles P-C4'-P energy: -118.139 tors. eta vs tors. theta energy: -233.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2569.720609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.720609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.720609 (E_RNA) where: Base-Base interactions energy: -1822.040 where: short stacking energy: -727.712 Base-Backbone interact. energy: -2.748 local terms energy: -744.932467 where: bonds (distance) C4'-P energy: -123.603 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -157.053 flat angles P-C4'-P energy: -112.414 tors. eta vs tors. theta energy: -222.205 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: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2570.538047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.538047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.538047 (E_RNA) where: Base-Base interactions energy: -1802.479 where: short stacking energy: -760.861 Base-Backbone interact. energy: -0.828 local terms energy: -767.230214 where: bonds (distance) C4'-P energy: -130.641 bonds (distance) P-C4' energy: -134.071 flat angles C4'-P-C4' energy: -161.547 flat angles P-C4'-P energy: -106.374 tors. eta vs tors. theta energy: -234.597 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: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2472.210588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.210588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.210588 (E_RNA) where: Base-Base interactions energy: -1747.639 where: short stacking energy: -738.130 Base-Backbone interact. energy: -1.716 local terms energy: -722.855300 where: bonds (distance) C4'-P energy: -127.616 bonds (distance) P-C4' energy: -120.554 flat angles C4'-P-C4' energy: -142.856 flat angles P-C4'-P energy: -109.664 tors. eta vs tors. theta energy: -222.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2381.315581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.315581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.315581 (E_RNA) where: Base-Base interactions energy: -1700.911 where: short stacking energy: -698.666 Base-Backbone interact. energy: 0.085 local terms energy: -680.489330 where: bonds (distance) C4'-P energy: -125.200 bonds (distance) P-C4' energy: -113.098 flat angles C4'-P-C4' energy: -138.965 flat angles P-C4'-P energy: -95.101 tors. eta vs tors. theta energy: -208.124 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: 343 Temperature: 1.150000 Total energy: -2292.243938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.243938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.243938 (E_RNA) where: Base-Base interactions energy: -1625.846 where: short stacking energy: -656.422 Base-Backbone interact. energy: -1.038 local terms energy: -665.359638 where: bonds (distance) C4'-P energy: -114.554 bonds (distance) P-C4' energy: -113.240 flat angles C4'-P-C4' energy: -145.108 flat angles P-C4'-P energy: -90.057 tors. eta vs tors. theta energy: -202.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2218.321043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.321043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.321043 (E_RNA) where: Base-Base interactions energy: -1601.314 where: short stacking energy: -653.955 Base-Backbone interact. energy: -1.235 local terms energy: -615.771260 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -97.792 flat angles C4'-P-C4' energy: -143.702 flat angles P-C4'-P energy: -82.076 tors. eta vs tors. theta energy: -196.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -2170.647093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.647093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.647093 (E_RNA) where: Base-Base interactions energy: -1571.288 where: short stacking energy: -642.854 Base-Backbone interact. energy: -0.362 local terms energy: -598.996743 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -124.045 flat angles C4'-P-C4' energy: -133.857 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: -186.273 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: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1931.241772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.241772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.241772 (E_RNA) where: Base-Base interactions energy: -1359.557 where: short stacking energy: -549.001 Base-Backbone interact. energy: 1.467 local terms energy: -573.151386 where: bonds (distance) C4'-P energy: -94.323 bonds (distance) P-C4' energy: -110.921 flat angles C4'-P-C4' energy: -129.482 flat angles P-C4'-P energy: -69.818 tors. eta vs tors. theta energy: -168.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -678.777417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.777417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.777417 (E_RNA) where: Base-Base interactions energy: -365.127 where: short stacking energy: -184.931 Base-Backbone interact. energy: 1.015 local terms energy: -314.666283 where: bonds (distance) C4'-P energy: -79.878 bonds (distance) P-C4' energy: -108.276 flat angles C4'-P-C4' energy: -105.745 flat angles P-C4'-P energy: -39.771 tors. eta vs tors. theta energy: 19.003 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: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2690.763268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.763268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.763268 (E_RNA) where: Base-Base interactions energy: -1911.826 where: short stacking energy: -795.579 Base-Backbone interact. energy: -1.110 local terms energy: -777.826756 where: bonds (distance) C4'-P energy: -136.154 bonds (distance) P-C4' energy: -133.402 flat angles C4'-P-C4' energy: -160.733 flat angles P-C4'-P energy: -108.222 tors. eta vs tors. theta energy: -239.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2608.121701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.121701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.121701 (E_RNA) where: Base-Base interactions energy: -1858.417 where: short stacking energy: -751.366 Base-Backbone interact. energy: -0.255 local terms energy: -749.450044 where: bonds (distance) C4'-P energy: -126.462 bonds (distance) P-C4' energy: -113.653 flat angles C4'-P-C4' energy: -171.376 flat angles P-C4'-P energy: -111.804 tors. eta vs tors. theta energy: -226.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2551.248911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.248911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.248911 (E_RNA) where: Base-Base interactions energy: -1797.849 where: short stacking energy: -753.980 Base-Backbone interact. energy: -2.841 local terms energy: -750.558724 where: bonds (distance) C4'-P energy: -123.897 bonds (distance) P-C4' energy: -122.601 flat angles C4'-P-C4' energy: -162.503 flat angles P-C4'-P energy: -105.420 tors. eta vs tors. theta energy: -236.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2482.667323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.667323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.667323 (E_RNA) where: Base-Base interactions energy: -1751.778 where: short stacking energy: -718.037 Base-Backbone interact. energy: -1.919 local terms energy: -728.970305 where: bonds (distance) C4'-P energy: -112.653 bonds (distance) P-C4' energy: -132.094 flat angles C4'-P-C4' energy: -144.183 flat angles P-C4'-P energy: -108.205 tors. eta vs tors. theta energy: -231.835 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: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2395.839147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.839147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.839147 (E_RNA) where: Base-Base interactions energy: -1692.755 where: short stacking energy: -693.347 Base-Backbone interact. energy: -1.894 local terms energy: -701.190248 where: bonds (distance) C4'-P energy: -124.184 bonds (distance) P-C4' energy: -125.828 flat angles C4'-P-C4' energy: -137.151 flat angles P-C4'-P energy: -95.020 tors. eta vs tors. theta energy: -219.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2285.620016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.620016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.620016 (E_RNA) where: Base-Base interactions energy: -1616.952 where: short stacking energy: -676.785 Base-Backbone interact. energy: 1.347 local terms energy: -670.014535 where: bonds (distance) C4'-P energy: -96.852 bonds (distance) P-C4' energy: -116.281 flat angles C4'-P-C4' energy: -146.716 flat angles P-C4'-P energy: -101.033 tors. eta vs tors. theta energy: -209.133 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: 344 Temperature: 1.200000 Total energy: -2264.763935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.763935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.763935 (E_RNA) where: Base-Base interactions energy: -1624.225 where: short stacking energy: -643.271 Base-Backbone interact. energy: -0.048 local terms energy: -640.491449 where: bonds (distance) C4'-P energy: -85.750 bonds (distance) P-C4' energy: -115.016 flat angles C4'-P-C4' energy: -137.275 flat angles P-C4'-P energy: -100.486 tors. eta vs tors. theta energy: -201.964 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: 344 Temperature: 1.250000 Total energy: -2123.723740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.723740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.723740 (E_RNA) where: Base-Base interactions energy: -1495.477 where: short stacking energy: -598.785 Base-Backbone interact. energy: -2.849 local terms energy: -625.397194 where: bonds (distance) C4'-P energy: -116.901 bonds (distance) P-C4' energy: -110.813 flat angles C4'-P-C4' energy: -142.060 flat angles P-C4'-P energy: -85.221 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: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1956.703195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.703195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.703195 (E_RNA) where: Base-Base interactions energy: -1407.339 where: short stacking energy: -562.333 Base-Backbone interact. energy: -0.538 local terms energy: -548.825354 where: bonds (distance) C4'-P energy: -88.893 bonds (distance) P-C4' energy: -96.699 flat angles C4'-P-C4' energy: -129.683 flat angles P-C4'-P energy: -78.462 tors. eta vs tors. theta energy: -155.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -697.190939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.190939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.190939 (E_RNA) where: Base-Base interactions energy: -329.232 where: short stacking energy: -194.296 Base-Backbone interact. energy: 4.833 local terms energy: -372.791868 where: bonds (distance) C4'-P energy: -98.659 bonds (distance) P-C4' energy: -121.418 flat angles C4'-P-C4' energy: -96.722 flat angles P-C4'-P energy: -64.383 tors. eta vs tors. theta energy: 8.390 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: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2681.256894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.256894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.256894 (E_RNA) where: Base-Base interactions energy: -1922.261 where: short stacking energy: -790.549 Base-Backbone interact. energy: -3.924 local terms energy: -755.072024 where: bonds (distance) C4'-P energy: -124.607 bonds (distance) P-C4' energy: -140.132 flat angles C4'-P-C4' energy: -148.158 flat angles P-C4'-P energy: -102.515 tors. eta vs tors. theta energy: -239.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2573.524888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.524888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.524888 (E_RNA) where: Base-Base interactions energy: -1845.022 where: short stacking energy: -757.241 Base-Backbone interact. energy: -0.375 local terms energy: -728.128744 where: bonds (distance) C4'-P energy: -119.035 bonds (distance) P-C4' energy: -127.832 flat angles C4'-P-C4' energy: -153.198 flat angles P-C4'-P energy: -100.555 tors. eta vs tors. theta energy: -227.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2553.823713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.823713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.823713 (E_RNA) where: Base-Base interactions energy: -1818.466 where: short stacking energy: -759.968 Base-Backbone interact. energy: -2.519 local terms energy: -732.838291 where: bonds (distance) C4'-P energy: -123.344 bonds (distance) P-C4' energy: -122.437 flat angles C4'-P-C4' energy: -164.129 flat angles P-C4'-P energy: -99.270 tors. eta vs tors. theta energy: -223.658 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: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2493.020049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.020049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.020049 (E_RNA) where: Base-Base interactions energy: -1774.801 where: short stacking energy: -725.150 Base-Backbone interact. energy: 2.031 local terms energy: -720.249967 where: bonds (distance) C4'-P energy: -109.046 bonds (distance) P-C4' energy: -134.715 flat angles C4'-P-C4' energy: -147.676 flat angles P-C4'-P energy: -105.360 tors. eta vs tors. theta energy: -223.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2410.674957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.674957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.674957 (E_RNA) where: Base-Base interactions energy: -1715.085 where: short stacking energy: -713.229 Base-Backbone interact. energy: 0.738 local terms energy: -696.328211 where: bonds (distance) C4'-P energy: -118.665 bonds (distance) P-C4' energy: -118.272 flat angles C4'-P-C4' energy: -156.838 flat angles P-C4'-P energy: -90.919 tors. eta vs tors. theta energy: -211.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2275.588459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.588459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.588459 (E_RNA) where: Base-Base interactions energy: -1626.095 where: short stacking energy: -679.359 Base-Backbone interact. energy: 2.899 local terms energy: -652.392870 where: bonds (distance) C4'-P energy: -107.698 bonds (distance) P-C4' energy: -104.646 flat angles C4'-P-C4' energy: -152.546 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -190.621 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: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2268.266836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.266836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.266836 (E_RNA) where: Base-Base interactions energy: -1621.186 where: short stacking energy: -655.551 Base-Backbone interact. energy: -1.414 local terms energy: -645.666552 where: bonds (distance) C4'-P energy: -117.366 bonds (distance) P-C4' energy: -130.690 flat angles C4'-P-C4' energy: -118.413 flat angles P-C4'-P energy: -85.226 tors. eta vs tors. theta energy: -193.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -2198.400321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.400321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.400321 (E_RNA) where: Base-Base interactions energy: -1546.838 where: short stacking energy: -644.593 Base-Backbone interact. energy: 0.180 local terms energy: -651.742287 where: bonds (distance) C4'-P energy: -102.385 bonds (distance) P-C4' energy: -121.938 flat angles C4'-P-C4' energy: -139.772 flat angles P-C4'-P energy: -92.658 tors. eta vs tors. theta energy: -194.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1906.576069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.576069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.576069 (E_RNA) where: Base-Base interactions energy: -1354.437 where: short stacking energy: -549.574 Base-Backbone interact. energy: -2.190 local terms energy: -549.948742 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -116.498 flat angles C4'-P-C4' energy: -124.232 flat angles P-C4'-P energy: -71.682 tors. eta vs tors. theta energy: -143.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -648.898227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.898227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.898227 (E_RNA) where: Base-Base interactions energy: -300.913 where: short stacking energy: -193.017 Base-Backbone interact. energy: 0.112 local terms energy: -348.096723 where: bonds (distance) C4'-P energy: -103.109 bonds (distance) P-C4' energy: -113.784 flat angles C4'-P-C4' energy: -81.839 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: 16.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2722.095545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.095545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.095545 (E_RNA) where: Base-Base interactions energy: -1944.549 where: short stacking energy: -788.438 Base-Backbone interact. energy: 0.569 local terms energy: -778.115226 where: bonds (distance) C4'-P energy: -137.658 bonds (distance) P-C4' energy: -141.818 flat angles C4'-P-C4' energy: -151.215 flat angles P-C4'-P energy: -107.438 tors. eta vs tors. theta energy: -239.987 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: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2585.304994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.304994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.304994 (E_RNA) where: Base-Base interactions energy: -1853.333 where: short stacking energy: -760.854 Base-Backbone interact. energy: 0.164 local terms energy: -732.135976 where: bonds (distance) C4'-P energy: -134.878 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -159.552 flat angles P-C4'-P energy: -91.441 tors. eta vs tors. theta energy: -228.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2563.674464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.674464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.674464 (E_RNA) where: Base-Base interactions energy: -1823.167 where: short stacking energy: -751.991 Base-Backbone interact. energy: -1.686 local terms energy: -738.820806 where: bonds (distance) C4'-P energy: -133.498 bonds (distance) P-C4' energy: -130.290 flat angles C4'-P-C4' energy: -146.584 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -230.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2441.638305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.638305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.638305 (E_RNA) where: Base-Base interactions energy: -1725.275 where: short stacking energy: -701.360 Base-Backbone interact. energy: -3.183 local terms energy: -713.180891 where: bonds (distance) C4'-P energy: -109.932 bonds (distance) P-C4' energy: -139.815 flat angles C4'-P-C4' energy: -141.471 flat angles P-C4'-P energy: -108.801 tors. eta vs tors. theta energy: -213.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2398.146052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.146052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.146052 (E_RNA) where: Base-Base interactions energy: -1703.077 where: short stacking energy: -719.882 Base-Backbone interact. energy: -2.293 local terms energy: -692.776392 where: bonds (distance) C4'-P energy: -110.545 bonds (distance) P-C4' energy: -114.848 flat angles C4'-P-C4' energy: -142.473 flat angles P-C4'-P energy: -107.217 tors. eta vs tors. theta energy: -217.693 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: 6, replica: 3 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2292.304584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.304584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.304584 (E_RNA) where: Base-Base interactions energy: -1637.595 where: short stacking energy: -663.028 Base-Backbone interact. energy: 1.489 local terms energy: -656.198657 where: bonds (distance) C4'-P energy: -113.193 bonds (distance) P-C4' energy: -115.961 flat angles C4'-P-C4' energy: -138.465 flat angles P-C4'-P energy: -82.674 tors. eta vs tors. theta energy: -205.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2313.358058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.358058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.358058 (E_RNA) where: Base-Base interactions energy: -1658.288 where: short stacking energy: -650.674 Base-Backbone interact. energy: -2.371 local terms energy: -652.699113 where: bonds (distance) C4'-P energy: -117.698 bonds (distance) P-C4' energy: -108.510 flat angles C4'-P-C4' energy: -141.620 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -195.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -2160.282836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.282836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.282836 (E_RNA) where: Base-Base interactions energy: -1532.057 where: short stacking energy: -627.091 Base-Backbone interact. energy: -0.956 local terms energy: -627.270439 where: bonds (distance) C4'-P energy: -119.848 bonds (distance) P-C4' energy: -110.135 flat angles C4'-P-C4' energy: -121.935 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -179.452 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: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1857.562129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.562129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.562129 (E_RNA) where: Base-Base interactions energy: -1310.829 where: short stacking energy: -519.335 Base-Backbone interact. energy: -0.137 local terms energy: -546.596109 where: bonds (distance) C4'-P energy: -102.177 bonds (distance) P-C4' energy: -108.255 flat angles C4'-P-C4' energy: -119.951 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -137.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -716.795372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.795372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.795372 (E_RNA) where: Base-Base interactions energy: -332.684 where: short stacking energy: -197.632 Base-Backbone interact. energy: -2.609 local terms energy: -381.502567 where: bonds (distance) C4'-P energy: -109.285 bonds (distance) P-C4' energy: -111.190 flat angles C4'-P-C4' energy: -123.332 flat angles P-C4'-P energy: -53.981 tors. eta vs tors. theta energy: 16.286 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: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2680.295623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.295623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.295623 (E_RNA) where: Base-Base interactions energy: -1916.099 where: short stacking energy: -767.408 Base-Backbone interact. energy: -3.865 local terms energy: -760.332030 where: bonds (distance) C4'-P energy: -126.603 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -156.692 flat angles P-C4'-P energy: -103.558 tors. eta vs tors. theta energy: -236.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2577.450404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.450404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.450404 (E_RNA) where: Base-Base interactions energy: -1834.770 where: short stacking energy: -757.279 Base-Backbone interact. energy: -2.228 local terms energy: -740.451470 where: bonds (distance) C4'-P energy: -133.047 bonds (distance) P-C4' energy: -120.992 flat angles C4'-P-C4' energy: -151.578 flat angles P-C4'-P energy: -110.019 tors. eta vs tors. theta energy: -224.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2579.775687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.775687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.775687 (E_RNA) where: Base-Base interactions energy: -1852.347 where: short stacking energy: -756.783 Base-Backbone interact. energy: -3.384 local terms energy: -724.044118 where: bonds (distance) C4'-P energy: -124.289 bonds (distance) P-C4' energy: -105.901 flat angles C4'-P-C4' energy: -163.289 flat angles P-C4'-P energy: -94.392 tors. eta vs tors. theta energy: -236.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2458.519363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.519363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.519363 (E_RNA) where: Base-Base interactions energy: -1756.258 where: short stacking energy: -731.500 Base-Backbone interact. energy: -0.809 local terms energy: -701.452623 where: bonds (distance) C4'-P energy: -122.451 bonds (distance) P-C4' energy: -116.033 flat angles C4'-P-C4' energy: -148.279 flat angles P-C4'-P energy: -100.116 tors. eta vs tors. theta energy: -214.574 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: 7 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2407.094613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.094613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.094613 (E_RNA) where: Base-Base interactions energy: -1756.874 where: short stacking energy: -705.068 Base-Backbone interact. energy: -2.271 local terms energy: -647.950194 where: bonds (distance) C4'-P energy: -89.782 bonds (distance) P-C4' energy: -119.221 flat angles C4'-P-C4' energy: -133.700 flat angles P-C4'-P energy: -103.044 tors. eta vs tors. theta energy: -202.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2269.906909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.906909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.906909 (E_RNA) where: Base-Base interactions energy: -1632.626 where: short stacking energy: -671.387 Base-Backbone interact. energy: 2.630 local terms energy: -639.910932 where: bonds (distance) C4'-P energy: -112.165 bonds (distance) P-C4' energy: -90.783 flat angles C4'-P-C4' energy: -134.285 flat angles P-C4'-P energy: -105.618 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: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2250.713828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.713828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.713828 (E_RNA) where: Base-Base interactions energy: -1627.834 where: short stacking energy: -668.439 Base-Backbone interact. energy: 0.311 local terms energy: -623.191088 where: bonds (distance) C4'-P energy: -90.991 bonds (distance) P-C4' energy: -103.013 flat angles C4'-P-C4' energy: -126.073 flat angles P-C4'-P energy: -99.465 tors. eta vs tors. theta energy: -203.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -2178.423473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.423473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.423473 (E_RNA) where: Base-Base interactions energy: -1544.724 where: short stacking energy: -625.041 Base-Backbone interact. energy: -1.533 local terms energy: -632.166962 where: bonds (distance) C4'-P energy: -110.435 bonds (distance) P-C4' energy: -111.440 flat angles C4'-P-C4' energy: -131.778 flat angles P-C4'-P energy: -92.344 tors. eta vs tors. theta energy: -186.170 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: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1921.619558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.619558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.619558 (E_RNA) where: Base-Base interactions energy: -1370.327 where: short stacking energy: -568.138 Base-Backbone interact. energy: -1.029 local terms energy: -550.263050 where: bonds (distance) C4'-P energy: -103.774 bonds (distance) P-C4' energy: -117.611 flat angles C4'-P-C4' energy: -118.030 flat angles P-C4'-P energy: -54.841 tors. eta vs tors. theta energy: -156.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -649.291099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.291099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.291099 (E_RNA) where: Base-Base interactions energy: -290.512 where: short stacking energy: -180.040 Base-Backbone interact. energy: -0.317 local terms energy: -358.462703 where: bonds (distance) C4'-P energy: -107.545 bonds (distance) P-C4' energy: -101.951 flat angles C4'-P-C4' energy: -88.814 flat angles P-C4'-P energy: -67.897 tors. eta vs tors. theta energy: 7.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2661.155722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.155722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.155722 (E_RNA) where: Base-Base interactions energy: -1884.497 where: short stacking energy: -760.324 Base-Backbone interact. energy: -0.826 local terms energy: -775.832535 where: bonds (distance) C4'-P energy: -137.286 bonds (distance) P-C4' energy: -129.009 flat angles C4'-P-C4' energy: -157.186 flat angles P-C4'-P energy: -114.862 tors. eta vs tors. theta energy: -237.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2577.514042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.514042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.514042 (E_RNA) where: Base-Base interactions energy: -1818.043 where: short stacking energy: -736.638 Base-Backbone interact. energy: -1.470 local terms energy: -758.000806 where: bonds (distance) C4'-P energy: -129.723 bonds (distance) P-C4' energy: -140.222 flat angles C4'-P-C4' energy: -157.309 flat angles P-C4'-P energy: -105.038 tors. eta vs tors. theta energy: -225.708 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: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2558.101606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.101606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.101606 (E_RNA) where: Base-Base interactions energy: -1826.997 where: short stacking energy: -752.532 Base-Backbone interact. energy: -0.088 local terms energy: -731.016862 where: bonds (distance) C4'-P energy: -114.235 bonds (distance) P-C4' energy: -133.417 flat angles C4'-P-C4' energy: -140.922 flat angles P-C4'-P energy: -106.718 tors. eta vs tors. theta energy: -235.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2444.949904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.949904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.949904 (E_RNA) where: Base-Base interactions energy: -1759.187 where: short stacking energy: -722.389 Base-Backbone interact. energy: 0.051 local terms energy: -685.813626 where: bonds (distance) C4'-P energy: -100.197 bonds (distance) P-C4' energy: -116.455 flat angles C4'-P-C4' energy: -149.183 flat angles P-C4'-P energy: -99.434 tors. eta vs tors. theta energy: -220.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2435.184804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.184804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.184804 (E_RNA) where: Base-Base interactions energy: -1747.856 where: short stacking energy: -702.813 Base-Backbone interact. energy: -1.326 local terms energy: -686.002702 where: bonds (distance) C4'-P energy: -105.106 bonds (distance) P-C4' energy: -117.173 flat angles C4'-P-C4' energy: -142.862 flat angles P-C4'-P energy: -98.716 tors. eta vs tors. theta energy: -222.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2261.852625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.852625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.852625 (E_RNA) where: Base-Base interactions energy: -1583.160 where: short stacking energy: -633.346 Base-Backbone interact. energy: 0.048 local terms energy: -678.740543 where: bonds (distance) C4'-P energy: -118.546 bonds (distance) P-C4' energy: -131.447 flat angles C4'-P-C4' energy: -145.443 flat angles P-C4'-P energy: -96.014 tors. eta vs tors. theta energy: -187.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2267.123526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.123526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.123526 (E_RNA) where: Base-Base interactions energy: -1589.717 where: short stacking energy: -636.587 Base-Backbone interact. energy: -2.200 local terms energy: -675.206815 where: bonds (distance) C4'-P energy: -120.287 bonds (distance) P-C4' energy: -131.202 flat angles C4'-P-C4' energy: -133.925 flat angles P-C4'-P energy: -96.901 tors. eta vs tors. theta energy: -192.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -2149.190206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.190206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.190206 (E_RNA) where: Base-Base interactions energy: -1522.099 where: short stacking energy: -624.744 Base-Backbone interact. energy: -1.974 local terms energy: -625.117041 where: bonds (distance) C4'-P energy: -123.954 bonds (distance) P-C4' energy: -91.528 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -83.998 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: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1918.402744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.402744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.402744 (E_RNA) where: Base-Base interactions energy: -1326.173 where: short stacking energy: -538.738 Base-Backbone interact. energy: 0.282 local terms energy: -592.511136 where: bonds (distance) C4'-P energy: -106.767 bonds (distance) P-C4' energy: -131.367 flat angles C4'-P-C4' energy: -128.520 flat angles P-C4'-P energy: -71.475 tors. eta vs tors. theta energy: -154.382 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: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -659.686197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.686197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.686197 (E_RNA) where: Base-Base interactions energy: -337.022 where: short stacking energy: -189.627 Base-Backbone interact. energy: 2.907 local terms energy: -325.570556 where: bonds (distance) C4'-P energy: -92.018 bonds (distance) P-C4' energy: -93.098 flat angles C4'-P-C4' energy: -93.491 flat angles P-C4'-P energy: -58.394 tors. eta vs tors. theta energy: 11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2670.265641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.265641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.265641 (E_RNA) where: Base-Base interactions energy: -1879.306 where: short stacking energy: -741.667 Base-Backbone interact. energy: -1.322 local terms energy: -789.637459 where: bonds (distance) C4'-P energy: -139.500 bonds (distance) P-C4' energy: -147.872 flat angles C4'-P-C4' energy: -158.802 flat angles P-C4'-P energy: -111.544 tors. eta vs tors. theta energy: -231.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2609.908154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.908154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.908154 (E_RNA) where: Base-Base interactions energy: -1871.935 where: short stacking energy: -758.759 Base-Backbone interact. energy: -1.004 local terms energy: -736.969249 where: bonds (distance) C4'-P energy: -128.055 bonds (distance) P-C4' energy: -123.551 flat angles C4'-P-C4' energy: -151.762 flat angles P-C4'-P energy: -110.212 tors. eta vs tors. theta energy: -223.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2564.839132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.839132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.839132 (E_RNA) where: Base-Base interactions energy: -1812.488 where: short stacking energy: -743.399 Base-Backbone interact. energy: 3.156 local terms energy: -755.507218 where: bonds (distance) C4'-P energy: -118.074 bonds (distance) P-C4' energy: -140.192 flat angles C4'-P-C4' energy: -154.153 flat angles P-C4'-P energy: -109.049 tors. eta vs tors. theta energy: -234.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2460.102880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.102880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.102880 (E_RNA) where: Base-Base interactions energy: -1735.084 where: short stacking energy: -741.985 Base-Backbone interact. energy: -2.416 local terms energy: -722.602750 where: bonds (distance) C4'-P energy: -124.225 bonds (distance) P-C4' energy: -116.239 flat angles C4'-P-C4' energy: -152.136 flat angles P-C4'-P energy: -97.900 tors. eta vs tors. theta energy: -232.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2391.775340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.775340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.775340 (E_RNA) where: Base-Base interactions energy: -1704.611 where: short stacking energy: -687.381 Base-Backbone interact. energy: -0.999 local terms energy: -686.165666 where: bonds (distance) C4'-P energy: -115.480 bonds (distance) P-C4' energy: -111.584 flat angles C4'-P-C4' energy: -161.677 flat angles P-C4'-P energy: -85.074 tors. eta vs tors. theta energy: -212.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2291.642184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.642184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.642184 (E_RNA) where: Base-Base interactions energy: -1636.613 where: short stacking energy: -668.929 Base-Backbone interact. energy: 2.526 local terms energy: -657.555139 where: bonds (distance) C4'-P energy: -113.898 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -127.442 flat angles P-C4'-P energy: -104.897 tors. eta vs tors. theta energy: -194.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2243.509013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.509013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.509013 (E_RNA) where: Base-Base interactions energy: -1603.942 where: short stacking energy: -664.528 Base-Backbone interact. energy: -0.516 local terms energy: -639.051499 where: bonds (distance) C4'-P energy: -106.445 bonds (distance) P-C4' energy: -109.658 flat angles C4'-P-C4' energy: -138.785 flat angles P-C4'-P energy: -88.633 tors. eta vs tors. theta energy: -195.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -2060.406976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.406976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.406976 (E_RNA) where: Base-Base interactions energy: -1473.348 where: short stacking energy: -630.923 Base-Backbone interact. energy: 4.166 local terms energy: -591.225550 where: bonds (distance) C4'-P energy: -93.697 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -132.098 flat angles P-C4'-P energy: -81.069 tors. eta vs tors. theta energy: -172.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -2025.859534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.859534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.859534 (E_RNA) where: Base-Base interactions energy: -1451.908 where: short stacking energy: -589.326 Base-Backbone interact. energy: -1.415 local terms energy: -572.535656 where: bonds (distance) C4'-P energy: -78.401 bonds (distance) P-C4' energy: -114.264 flat angles C4'-P-C4' energy: -120.593 flat angles P-C4'-P energy: -93.363 tors. eta vs tors. theta energy: -165.915 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: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -749.358845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.358845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.358845 (E_RNA) where: Base-Base interactions energy: -416.559 where: short stacking energy: -219.425 Base-Backbone interact. energy: -1.868 local terms energy: -330.931317 where: bonds (distance) C4'-P energy: -112.048 bonds (distance) P-C4' energy: -120.387 flat angles C4'-P-C4' energy: -60.186 flat angles P-C4'-P energy: -33.735 tors. eta vs tors. theta energy: -4.575 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: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2662.926475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.926475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.926475 (E_RNA) where: Base-Base interactions energy: -1886.415 where: short stacking energy: -766.698 Base-Backbone interact. energy: -3.697 local terms energy: -772.814248 where: bonds (distance) C4'-P energy: -135.673 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -151.421 flat angles P-C4'-P energy: -106.637 tors. eta vs tors. theta energy: -236.315 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: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2576.210796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.210796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.210796 (E_RNA) where: Base-Base interactions energy: -1857.808 where: short stacking energy: -747.733 Base-Backbone interact. energy: -2.167 local terms energy: -716.234898 where: bonds (distance) C4'-P energy: -133.954 bonds (distance) P-C4' energy: -121.268 flat angles C4'-P-C4' energy: -154.077 flat angles P-C4'-P energy: -101.391 tors. eta vs tors. theta energy: -205.545 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: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2552.878383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.878383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.878383 (E_RNA) where: Base-Base interactions energy: -1823.057 where: short stacking energy: -753.638 Base-Backbone interact. energy: 4.788 local terms energy: -734.610054 where: bonds (distance) C4'-P energy: -114.259 bonds (distance) P-C4' energy: -121.768 flat angles C4'-P-C4' energy: -158.778 flat angles P-C4'-P energy: -104.602 tors. eta vs tors. theta energy: -235.203 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: 350 Temperature: 1.050000 Total energy: -2473.878123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.878123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.878123 (E_RNA) where: Base-Base interactions energy: -1772.599 where: short stacking energy: -737.858 Base-Backbone interact. energy: -2.164 local terms energy: -699.114633 where: bonds (distance) C4'-P energy: -114.879 bonds (distance) P-C4' energy: -119.436 flat angles C4'-P-C4' energy: -140.419 flat angles P-C4'-P energy: -101.072 tors. eta vs tors. theta energy: -223.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2426.779391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.779391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.779391 (E_RNA) where: Base-Base interactions energy: -1698.350 where: short stacking energy: -703.697 Base-Backbone interact. energy: -0.752 local terms energy: -727.677171 where: bonds (distance) C4'-P energy: -122.423 bonds (distance) P-C4' energy: -117.781 flat angles C4'-P-C4' energy: -151.308 flat angles P-C4'-P energy: -112.795 tors. eta vs tors. theta energy: -223.370 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: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2321.382393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.382393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.382393 (E_RNA) where: Base-Base interactions energy: -1675.742 where: short stacking energy: -676.992 Base-Backbone interact. energy: -0.277 local terms energy: -645.363169 where: bonds (distance) C4'-P energy: -109.276 bonds (distance) P-C4' energy: -106.848 flat angles C4'-P-C4' energy: -139.724 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -201.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2245.605345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.605345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.605345 (E_RNA) where: Base-Base interactions energy: -1642.716 where: short stacking energy: -656.398 Base-Backbone interact. energy: -2.190 local terms energy: -600.699084 where: bonds (distance) C4'-P energy: -105.010 bonds (distance) P-C4' energy: -100.981 flat angles C4'-P-C4' energy: -122.008 flat angles P-C4'-P energy: -80.102 tors. eta vs tors. theta energy: -192.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -2100.357333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.357333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.357333 (E_RNA) where: Base-Base interactions energy: -1497.598 where: short stacking energy: -606.623 Base-Backbone interact. energy: 5.871 local terms energy: -608.629858 where: bonds (distance) C4'-P energy: -102.121 bonds (distance) P-C4' energy: -108.974 flat angles C4'-P-C4' energy: -134.948 flat angles P-C4'-P energy: -72.090 tors. eta vs tors. theta energy: -190.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -2053.902477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.902477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.902477 (E_RNA) where: Base-Base interactions energy: -1468.071 where: short stacking energy: -591.388 Base-Backbone interact. energy: -2.236 local terms energy: -583.595527 where: bonds (distance) C4'-P energy: -82.806 bonds (distance) P-C4' energy: -104.398 flat angles C4'-P-C4' energy: -148.582 flat angles P-C4'-P energy: -79.993 tors. eta vs tors. theta energy: -167.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -762.738850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.738850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.738850 (E_RNA) where: Base-Base interactions energy: -403.966 where: short stacking energy: -214.485 Base-Backbone interact. energy: 2.611 local terms energy: -361.384510 where: bonds (distance) C4'-P energy: -104.342 bonds (distance) P-C4' energy: -111.196 flat angles C4'-P-C4' energy: -100.686 flat angles P-C4'-P energy: -43.318 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2668.815340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.815340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.815340 (E_RNA) where: Base-Base interactions energy: -1898.374 where: short stacking energy: -759.739 Base-Backbone interact. energy: -2.303 local terms energy: -768.138003 where: bonds (distance) C4'-P energy: -122.684 bonds (distance) P-C4' energy: -142.293 flat angles C4'-P-C4' energy: -158.227 flat angles P-C4'-P energy: -112.746 tors. eta vs tors. theta energy: -232.189 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: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2595.953680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.953680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.953680 (E_RNA) where: Base-Base interactions energy: -1841.286 where: short stacking energy: -755.840 Base-Backbone interact. energy: -2.302 local terms energy: -752.365370 where: bonds (distance) C4'-P energy: -125.655 bonds (distance) P-C4' energy: -131.458 flat angles C4'-P-C4' energy: -159.690 flat angles P-C4'-P energy: -105.594 tors. eta vs tors. theta energy: -229.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2605.422651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.422651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.422651 (E_RNA) where: Base-Base interactions energy: -1852.490 where: short stacking energy: -744.665 Base-Backbone interact. energy: -1.579 local terms energy: -751.353229 where: bonds (distance) C4'-P energy: -122.376 bonds (distance) P-C4' energy: -130.536 flat angles C4'-P-C4' energy: -153.236 flat angles P-C4'-P energy: -119.091 tors. eta vs tors. theta energy: -226.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2473.401292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.401292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.401292 (E_RNA) where: Base-Base interactions energy: -1741.567 where: short stacking energy: -728.301 Base-Backbone interact. energy: -2.234 local terms energy: -729.600289 where: bonds (distance) C4'-P energy: -118.148 bonds (distance) P-C4' energy: -114.374 flat angles C4'-P-C4' energy: -156.656 flat angles P-C4'-P energy: -112.815 tors. eta vs tors. theta energy: -227.607 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: 351 Temperature: 1.100000 Total energy: -2437.350614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.350614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.350614 (E_RNA) where: Base-Base interactions energy: -1719.323 where: short stacking energy: -691.397 Base-Backbone interact. energy: -1.020 local terms energy: -717.007787 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -103.685 flat angles C4'-P-C4' energy: -156.803 flat angles P-C4'-P energy: -112.162 tors. eta vs tors. theta energy: -216.224 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: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2406.719366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.719366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.719366 (E_RNA) where: Base-Base interactions energy: -1719.770 where: short stacking energy: -699.649 Base-Backbone interact. energy: -0.428 local terms energy: -686.520741 where: bonds (distance) C4'-P energy: -123.268 bonds (distance) P-C4' energy: -131.290 flat angles C4'-P-C4' energy: -131.946 flat angles P-C4'-P energy: -86.848 tors. eta vs tors. theta energy: -213.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2199.394082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.394082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.394082 (E_RNA) where: Base-Base interactions energy: -1531.328 where: short stacking energy: -631.248 Base-Backbone interact. energy: -0.590 local terms energy: -667.476330 where: bonds (distance) C4'-P energy: -103.787 bonds (distance) P-C4' energy: -130.272 flat angles C4'-P-C4' energy: -147.672 flat angles P-C4'-P energy: -89.761 tors. eta vs tors. theta energy: -195.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -2075.788055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.788055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.788055 (E_RNA) where: Base-Base interactions energy: -1464.492 where: short stacking energy: -582.360 Base-Backbone interact. energy: -2.334 local terms energy: -608.961574 where: bonds (distance) C4'-P energy: -117.856 bonds (distance) P-C4' energy: -110.307 flat angles C4'-P-C4' energy: -121.699 flat angles P-C4'-P energy: -89.476 tors. eta vs tors. theta energy: -169.624 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: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1912.481067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.481067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.481067 (E_RNA) where: Base-Base interactions energy: -1371.551 where: short stacking energy: -539.338 Base-Backbone interact. energy: 1.741 local terms energy: -542.671109 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -123.439 flat angles C4'-P-C4' energy: -107.930 flat angles P-C4'-P energy: -84.739 tors. eta vs tors. theta energy: -145.736 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: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -702.418304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.418304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.418304 (E_RNA) where: Base-Base interactions energy: -327.873 where: short stacking energy: -173.874 Base-Backbone interact. energy: 2.834 local terms energy: -377.379636 where: bonds (distance) C4'-P energy: -107.704 bonds (distance) P-C4' energy: -95.274 flat angles C4'-P-C4' energy: -112.425 flat angles P-C4'-P energy: -61.875 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2653.772124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.772124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.772124 (E_RNA) where: Base-Base interactions energy: -1900.567 where: short stacking energy: -753.609 Base-Backbone interact. energy: -2.589 local terms energy: -750.616228 where: bonds (distance) C4'-P energy: -136.794 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -150.456 flat angles P-C4'-P energy: -104.872 tors. eta vs tors. theta energy: -229.039 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: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2584.195934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.195934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.195934 (E_RNA) where: Base-Base interactions energy: -1835.133 where: short stacking energy: -751.320 Base-Backbone interact. energy: -2.722 local terms energy: -746.340681 where: bonds (distance) C4'-P energy: -137.243 bonds (distance) P-C4' energy: -117.272 flat angles C4'-P-C4' energy: -156.043 flat angles P-C4'-P energy: -103.001 tors. eta vs tors. theta energy: -232.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2497.516061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.516061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.516061 (E_RNA) where: Base-Base interactions energy: -1737.885 where: short stacking energy: -731.804 Base-Backbone interact. energy: 0.789 local terms energy: -760.419590 where: bonds (distance) C4'-P energy: -130.866 bonds (distance) P-C4' energy: -138.043 flat angles C4'-P-C4' energy: -159.104 flat angles P-C4'-P energy: -103.434 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: 4, replica: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2500.854399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.854399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.854399 (E_RNA) where: Base-Base interactions energy: -1812.143 where: short stacking energy: -721.984 Base-Backbone interact. energy: 1.625 local terms energy: -690.336548 where: bonds (distance) C4'-P energy: -116.136 bonds (distance) P-C4' energy: -122.841 flat angles C4'-P-C4' energy: -143.032 flat angles P-C4'-P energy: -92.794 tors. eta vs tors. theta energy: -215.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2431.145865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.145865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.145865 (E_RNA) where: Base-Base interactions energy: -1734.518 where: short stacking energy: -732.908 Base-Backbone interact. energy: -1.402 local terms energy: -695.225039 where: bonds (distance) C4'-P energy: -119.314 bonds (distance) P-C4' energy: -107.809 flat angles C4'-P-C4' energy: -139.612 flat angles P-C4'-P energy: -104.785 tors. eta vs tors. theta energy: -223.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2370.008989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.008989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.008989 (E_RNA) where: Base-Base interactions energy: -1687.761 where: short stacking energy: -678.798 Base-Backbone interact. energy: -3.267 local terms energy: -678.980581 where: bonds (distance) C4'-P energy: -107.430 bonds (distance) P-C4' energy: -125.286 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -96.999 tors. eta vs tors. theta energy: -216.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2223.464225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.464225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.464225 (E_RNA) where: Base-Base interactions energy: -1567.334 where: short stacking energy: -643.413 Base-Backbone interact. energy: 0.945 local terms energy: -657.075430 where: bonds (distance) C4'-P energy: -107.145 bonds (distance) P-C4' energy: -109.533 flat angles C4'-P-C4' energy: -146.861 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -191.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -2103.563958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.563958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.563958 (E_RNA) where: Base-Base interactions energy: -1506.054 where: short stacking energy: -606.749 Base-Backbone interact. energy: -1.273 local terms energy: -596.236747 where: bonds (distance) C4'-P energy: -99.676 bonds (distance) P-C4' energy: -105.208 flat angles C4'-P-C4' energy: -138.677 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: -174.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1931.899856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.899856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.899856 (E_RNA) where: Base-Base interactions energy: -1377.052 where: short stacking energy: -548.885 Base-Backbone interact. energy: 8.763 local terms energy: -563.610760 where: bonds (distance) C4'-P energy: -105.980 bonds (distance) P-C4' energy: -102.484 flat angles C4'-P-C4' energy: -118.573 flat angles P-C4'-P energy: -93.915 tors. eta vs tors. theta energy: -142.658 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: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -759.455347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.455347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.455347 (E_RNA) where: Base-Base interactions energy: -406.865 where: short stacking energy: -229.395 Base-Backbone interact. energy: 3.962 local terms energy: -356.552339 where: bonds (distance) C4'-P energy: -102.105 bonds (distance) P-C4' energy: -106.994 flat angles C4'-P-C4' energy: -91.127 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: 1.905 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: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2660.777948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.777948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.777948 (E_RNA) where: Base-Base interactions energy: -1903.800 where: short stacking energy: -755.388 Base-Backbone interact. energy: -0.022 local terms energy: -756.955677 where: bonds (distance) C4'-P energy: -137.900 bonds (distance) P-C4' energy: -117.605 flat angles C4'-P-C4' energy: -159.650 flat angles P-C4'-P energy: -107.823 tors. eta vs tors. theta energy: -233.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2590.427926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.427926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.427926 (E_RNA) where: Base-Base interactions energy: -1850.581 where: short stacking energy: -765.579 Base-Backbone interact. energy: 2.057 local terms energy: -741.904194 where: bonds (distance) C4'-P energy: -125.082 bonds (distance) P-C4' energy: -123.699 flat angles C4'-P-C4' energy: -153.235 flat angles P-C4'-P energy: -104.251 tors. eta vs tors. theta energy: -235.637 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: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2547.173665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.173665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.173665 (E_RNA) where: Base-Base interactions energy: -1795.522 where: short stacking energy: -747.981 Base-Backbone interact. energy: -1.221 local terms energy: -750.430376 where: bonds (distance) C4'-P energy: -106.228 bonds (distance) P-C4' energy: -135.192 flat angles C4'-P-C4' energy: -160.419 flat angles P-C4'-P energy: -106.211 tors. eta vs tors. theta energy: -242.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2497.708739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.708739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.708739 (E_RNA) where: Base-Base interactions energy: -1789.991 where: short stacking energy: -712.290 Base-Backbone interact. energy: -1.390 local terms energy: -706.327003 where: bonds (distance) C4'-P energy: -112.813 bonds (distance) P-C4' energy: -125.632 flat angles C4'-P-C4' energy: -147.127 flat angles P-C4'-P energy: -101.845 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: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2382.568111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.568111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.568111 (E_RNA) where: Base-Base interactions energy: -1717.190 where: short stacking energy: -691.633 Base-Backbone interact. energy: 3.803 local terms energy: -669.180361 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -104.216 flat angles C4'-P-C4' energy: -157.326 flat angles P-C4'-P energy: -88.068 tors. eta vs tors. theta energy: -204.069 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: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2400.729097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.729097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.729097 (E_RNA) where: Base-Base interactions energy: -1739.116 where: short stacking energy: -695.202 Base-Backbone interact. energy: -2.528 local terms energy: -659.085190 where: bonds (distance) C4'-P energy: -99.949 bonds (distance) P-C4' energy: -117.746 flat angles C4'-P-C4' energy: -146.140 flat angles P-C4'-P energy: -92.291 tors. eta vs tors. theta energy: -202.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2252.220655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.220655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.220655 (E_RNA) where: Base-Base interactions energy: -1582.940 where: short stacking energy: -657.665 Base-Backbone interact. energy: -3.422 local terms energy: -665.858238 where: bonds (distance) C4'-P energy: -124.307 bonds (distance) P-C4' energy: -114.663 flat angles C4'-P-C4' energy: -144.192 flat angles P-C4'-P energy: -80.631 tors. eta vs tors. theta energy: -202.066 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: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -2025.592555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.592555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.592555 (E_RNA) where: Base-Base interactions energy: -1453.041 where: short stacking energy: -597.357 Base-Backbone interact. energy: -1.500 local terms energy: -571.051641 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -100.526 flat angles C4'-P-C4' energy: -121.800 flat angles P-C4'-P energy: -69.663 tors. eta vs tors. theta energy: -165.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1998.974795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.974795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.974795 (E_RNA) where: Base-Base interactions energy: -1435.881 where: short stacking energy: -578.842 Base-Backbone interact. energy: -1.858 local terms energy: -561.236387 where: bonds (distance) C4'-P energy: -106.680 bonds (distance) P-C4' energy: -108.478 flat angles C4'-P-C4' energy: -107.345 flat angles P-C4'-P energy: -71.723 tors. eta vs tors. theta energy: -167.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -717.835208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.835208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.835208 (E_RNA) where: Base-Base interactions energy: -376.370 where: short stacking energy: -189.050 Base-Backbone interact. energy: 9.127 local terms energy: -350.592154 where: bonds (distance) C4'-P energy: -117.681 bonds (distance) P-C4' energy: -102.830 flat angles C4'-P-C4' energy: -93.356 flat angles P-C4'-P energy: -38.569 tors. eta vs tors. theta energy: 1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2663.844784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.844784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.844784 (E_RNA) where: Base-Base interactions energy: -1886.761 where: short stacking energy: -761.903 Base-Backbone interact. energy: 0.046 local terms energy: -777.129666 where: bonds (distance) C4'-P energy: -133.523 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -157.701 flat angles P-C4'-P energy: -110.238 tors. eta vs tors. theta energy: -238.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2587.618239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.618239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.618239 (E_RNA) where: Base-Base interactions energy: -1830.658 where: short stacking energy: -762.445 Base-Backbone interact. energy: -1.955 local terms energy: -755.004454 where: bonds (distance) C4'-P energy: -129.324 bonds (distance) P-C4' energy: -130.829 flat angles C4'-P-C4' energy: -157.924 flat angles P-C4'-P energy: -101.241 tors. eta vs tors. theta energy: -235.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2540.406664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.406664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.406664 (E_RNA) where: Base-Base interactions energy: -1764.361 where: short stacking energy: -714.503 Base-Backbone interact. energy: -1.682 local terms energy: -774.363999 where: bonds (distance) C4'-P energy: -137.061 bonds (distance) P-C4' energy: -141.924 flat angles C4'-P-C4' energy: -153.376 flat angles P-C4'-P energy: -115.607 tors. eta vs tors. theta energy: -226.396 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: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2520.332910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.332910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.332910 (E_RNA) where: Base-Base interactions energy: -1837.831 where: short stacking energy: -742.148 Base-Backbone interact. energy: -1.299 local terms energy: -681.202801 where: bonds (distance) C4'-P energy: -107.521 bonds (distance) P-C4' energy: -109.973 flat angles C4'-P-C4' energy: -146.945 flat angles P-C4'-P energy: -100.684 tors. eta vs tors. theta energy: -216.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2445.373565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.373565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.373565 (E_RNA) where: Base-Base interactions energy: -1695.324 where: short stacking energy: -698.336 Base-Backbone interact. energy: -0.432 local terms energy: -749.616955 where: bonds (distance) C4'-P energy: -144.503 bonds (distance) P-C4' energy: -140.265 flat angles C4'-P-C4' energy: -145.917 flat angles P-C4'-P energy: -105.940 tors. eta vs tors. theta energy: -212.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2346.335455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.335455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.335455 (E_RNA) where: Base-Base interactions energy: -1675.315 where: short stacking energy: -688.872 Base-Backbone interact. energy: -3.260 local terms energy: -667.760432 where: bonds (distance) C4'-P energy: -103.122 bonds (distance) P-C4' energy: -124.250 flat angles C4'-P-C4' energy: -142.327 flat angles P-C4'-P energy: -88.513 tors. eta vs tors. theta energy: -209.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2275.475856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.475856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.475856 (E_RNA) where: Base-Base interactions energy: -1624.990 where: short stacking energy: -665.449 Base-Backbone interact. energy: -2.431 local terms energy: -648.054864 where: bonds (distance) C4'-P energy: -110.334 bonds (distance) P-C4' energy: -123.332 flat angles C4'-P-C4' energy: -141.703 flat angles P-C4'-P energy: -67.002 tors. eta vs tors. theta energy: -205.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -2077.522841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.522841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.522841 (E_RNA) where: Base-Base interactions energy: -1492.272 where: short stacking energy: -582.587 Base-Backbone interact. energy: -0.181 local terms energy: -585.069831 where: bonds (distance) C4'-P energy: -96.756 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -141.409 flat angles P-C4'-P energy: -81.402 tors. eta vs tors. theta energy: -168.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1958.067207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.067207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.067207 (E_RNA) where: Base-Base interactions energy: -1382.833 where: short stacking energy: -566.053 Base-Backbone interact. energy: 0.876 local terms energy: -576.110030 where: bonds (distance) C4'-P energy: -95.994 bonds (distance) P-C4' energy: -92.200 flat angles C4'-P-C4' energy: -138.650 flat angles P-C4'-P energy: -90.923 tors. eta vs tors. theta energy: -158.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -744.851663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.851663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.851663 (E_RNA) where: Base-Base interactions energy: -390.035 where: short stacking energy: -196.645 Base-Backbone interact. energy: 0.608 local terms energy: -355.424554 where: bonds (distance) C4'-P energy: -102.879 bonds (distance) P-C4' energy: -93.176 flat angles C4'-P-C4' energy: -87.203 flat angles P-C4'-P energy: -74.042 tors. eta vs tors. theta energy: 1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2643.939798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.939798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.939798 (E_RNA) where: Base-Base interactions energy: -1872.736 where: short stacking energy: -755.853 Base-Backbone interact. energy: -3.196 local terms energy: -768.008395 where: bonds (distance) C4'-P energy: -137.442 bonds (distance) P-C4' energy: -129.271 flat angles C4'-P-C4' energy: -161.789 flat angles P-C4'-P energy: -102.284 tors. eta vs tors. theta energy: -237.223 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: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2617.898350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.898350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.898350 (E_RNA) where: Base-Base interactions energy: -1848.129 where: short stacking energy: -766.068 Base-Backbone interact. energy: 0.854 local terms energy: -770.622814 where: bonds (distance) C4'-P energy: -140.070 bonds (distance) P-C4' energy: -139.690 flat angles C4'-P-C4' energy: -159.369 flat angles P-C4'-P energy: -99.615 tors. eta vs tors. theta energy: -231.879 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: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2511.196189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.196189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.196189 (E_RNA) where: Base-Base interactions energy: -1764.808 where: short stacking energy: -739.845 Base-Backbone interact. energy: -1.499 local terms energy: -744.889752 where: bonds (distance) C4'-P energy: -120.910 bonds (distance) P-C4' energy: -131.626 flat angles C4'-P-C4' energy: -143.789 flat angles P-C4'-P energy: -118.219 tors. eta vs tors. theta energy: -230.346 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: 355 Temperature: 1.050000 Total energy: -2508.759576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.759576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.759576 (E_RNA) where: Base-Base interactions energy: -1803.315 where: short stacking energy: -735.186 Base-Backbone interact. energy: 0.161 local terms energy: -705.605390 where: bonds (distance) C4'-P energy: -123.820 bonds (distance) P-C4' energy: -122.694 flat angles C4'-P-C4' energy: -145.339 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -213.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2469.213903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.213903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.213903 (E_RNA) where: Base-Base interactions energy: -1767.207 where: short stacking energy: -715.433 Base-Backbone interact. energy: 1.110 local terms energy: -703.116234 where: bonds (distance) C4'-P energy: -118.530 bonds (distance) P-C4' energy: -111.412 flat angles C4'-P-C4' energy: -149.615 flat angles P-C4'-P energy: -101.160 tors. eta vs tors. theta energy: -222.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2391.031433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.031433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.031433 (E_RNA) where: Base-Base interactions energy: -1705.470 where: short stacking energy: -706.446 Base-Backbone interact. energy: -2.180 local terms energy: -683.380820 where: bonds (distance) C4'-P energy: -121.108 bonds (distance) P-C4' energy: -119.850 flat angles C4'-P-C4' energy: -132.880 flat angles P-C4'-P energy: -92.344 tors. eta vs tors. theta energy: -217.198 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: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2226.724592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.724592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.724592 (E_RNA) where: Base-Base interactions energy: -1582.465 where: short stacking energy: -630.625 Base-Backbone interact. energy: -3.304 local terms energy: -640.956400 where: bonds (distance) C4'-P energy: -107.565 bonds (distance) P-C4' energy: -109.183 flat angles C4'-P-C4' energy: -142.511 flat angles P-C4'-P energy: -98.670 tors. eta vs tors. theta energy: -183.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -2073.000448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.000448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.000448 (E_RNA) where: Base-Base interactions energy: -1479.211 where: short stacking energy: -592.124 Base-Backbone interact. energy: 2.090 local terms energy: -595.880184 where: bonds (distance) C4'-P energy: -112.280 bonds (distance) P-C4' energy: -121.011 flat angles C4'-P-C4' energy: -110.538 flat angles P-C4'-P energy: -86.087 tors. eta vs tors. theta energy: -165.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1982.698233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.698233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.698233 (E_RNA) where: Base-Base interactions energy: -1415.720 where: short stacking energy: -578.613 Base-Backbone interact. energy: 1.006 local terms energy: -567.984548 where: bonds (distance) C4'-P energy: -106.978 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -136.846 flat angles P-C4'-P energy: -70.872 tors. eta vs tors. theta energy: -161.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -786.586826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.586826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.586826 (E_RNA) where: Base-Base interactions energy: -432.166 where: short stacking energy: -217.375 Base-Backbone interact. energy: 1.407 local terms energy: -355.827441 where: bonds (distance) C4'-P energy: -112.791 bonds (distance) P-C4' energy: -114.283 flat angles C4'-P-C4' energy: -87.037 flat angles P-C4'-P energy: -35.980 tors. eta vs tors. theta energy: -5.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2670.043486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.043486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.043486 (E_RNA) where: Base-Base interactions energy: -1889.947 where: short stacking energy: -756.762 Base-Backbone interact. energy: -1.683 local terms energy: -778.413744 where: bonds (distance) C4'-P energy: -143.946 bonds (distance) P-C4' energy: -141.453 flat angles C4'-P-C4' energy: -150.847 flat angles P-C4'-P energy: -105.017 tors. eta vs tors. theta energy: -237.150 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: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2599.111460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.111460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.111460 (E_RNA) where: Base-Base interactions energy: -1846.106 where: short stacking energy: -781.247 Base-Backbone interact. energy: -0.678 local terms energy: -752.327574 where: bonds (distance) C4'-P energy: -143.195 bonds (distance) P-C4' energy: -116.400 flat angles C4'-P-C4' energy: -153.526 flat angles P-C4'-P energy: -100.928 tors. eta vs tors. theta energy: -238.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2508.653943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.653943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.653943 (E_RNA) where: Base-Base interactions energy: -1728.354 where: short stacking energy: -717.633 Base-Backbone interact. energy: -2.190 local terms energy: -778.110530 where: bonds (distance) C4'-P energy: -144.224 bonds (distance) P-C4' energy: -125.243 flat angles C4'-P-C4' energy: -156.400 flat angles P-C4'-P energy: -109.063 tors. eta vs tors. theta energy: -243.180 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: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2458.735182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.735182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.735182 (E_RNA) where: Base-Base interactions energy: -1759.268 where: short stacking energy: -707.691 Base-Backbone interact. energy: -1.276 local terms energy: -698.190749 where: bonds (distance) C4'-P energy: -110.381 bonds (distance) P-C4' energy: -136.632 flat angles C4'-P-C4' energy: -139.408 flat angles P-C4'-P energy: -101.200 tors. eta vs tors. theta energy: -210.568 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: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2453.946765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.946765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.946765 (E_RNA) where: Base-Base interactions energy: -1746.154 where: short stacking energy: -710.216 Base-Backbone interact. energy: -0.842 local terms energy: -706.951102 where: bonds (distance) C4'-P energy: -116.223 bonds (distance) P-C4' energy: -131.169 flat angles C4'-P-C4' energy: -145.839 flat angles P-C4'-P energy: -92.255 tors. eta vs tors. theta energy: -221.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2318.851828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.851828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.851828 (E_RNA) where: Base-Base interactions energy: -1632.436 where: short stacking energy: -680.165 Base-Backbone interact. energy: 2.061 local terms energy: -688.476225 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -104.359 flat angles C4'-P-C4' energy: -142.872 flat angles P-C4'-P energy: -104.138 tors. eta vs tors. theta energy: -209.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2238.501308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.501308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.501308 (E_RNA) where: Base-Base interactions energy: -1574.873 where: short stacking energy: -657.102 Base-Backbone interact. energy: -1.271 local terms energy: -662.357843 where: bonds (distance) C4'-P energy: -116.672 bonds (distance) P-C4' energy: -104.142 flat angles C4'-P-C4' energy: -134.582 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -211.627 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: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -2083.218447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.218447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.218447 (E_RNA) where: Base-Base interactions energy: -1497.265 where: short stacking energy: -598.467 Base-Backbone interact. energy: -0.846 local terms energy: -585.107253 where: bonds (distance) C4'-P energy: -94.986 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -136.815 flat angles P-C4'-P energy: -82.228 tors. eta vs tors. theta energy: -169.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1986.926378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.926378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.926378 (E_RNA) where: Base-Base interactions energy: -1419.801 where: short stacking energy: -576.499 Base-Backbone interact. energy: 3.992 local terms energy: -571.116510 where: bonds (distance) C4'-P energy: -104.334 bonds (distance) P-C4' energy: -105.042 flat angles C4'-P-C4' energy: -112.307 flat angles P-C4'-P energy: -86.682 tors. eta vs tors. theta energy: -162.752 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: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -772.889870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.889870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.889870 (E_RNA) where: Base-Base interactions energy: -377.010 where: short stacking energy: -212.850 Base-Backbone interact. energy: 5.602 local terms energy: -401.481923 where: bonds (distance) C4'-P energy: -102.004 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -91.102 flat angles P-C4'-P energy: -74.580 tors. eta vs tors. theta energy: -12.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2693.676155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.676155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.676155 (E_RNA) where: Base-Base interactions energy: -1882.705 where: short stacking energy: -765.561 Base-Backbone interact. energy: -2.572 local terms energy: -808.399800 where: bonds (distance) C4'-P energy: -149.660 bonds (distance) P-C4' energy: -148.332 flat angles C4'-P-C4' energy: -167.393 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -230.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2594.541620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.541620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.541620 (E_RNA) where: Base-Base interactions energy: -1831.943 where: short stacking energy: -765.636 Base-Backbone interact. energy: -0.302 local terms energy: -762.296570 where: bonds (distance) C4'-P energy: -139.942 bonds (distance) P-C4' energy: -120.724 flat angles C4'-P-C4' energy: -159.130 flat angles P-C4'-P energy: -110.887 tors. eta vs tors. theta energy: -231.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2509.282405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.282405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.282405 (E_RNA) where: Base-Base interactions energy: -1782.398 where: short stacking energy: -715.395 Base-Backbone interact. energy: -2.743 local terms energy: -724.140970 where: bonds (distance) C4'-P energy: -122.426 bonds (distance) P-C4' energy: -115.725 flat angles C4'-P-C4' energy: -155.731 flat angles P-C4'-P energy: -106.641 tors. eta vs tors. theta energy: -223.618 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: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2483.247775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.247775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.247775 (E_RNA) where: Base-Base interactions energy: -1781.170 where: short stacking energy: -708.918 Base-Backbone interact. energy: 0.720 local terms energy: -702.797990 where: bonds (distance) C4'-P energy: -116.845 bonds (distance) P-C4' energy: -123.297 flat angles C4'-P-C4' energy: -140.786 flat angles P-C4'-P energy: -99.858 tors. eta vs tors. theta energy: -222.012 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: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2450.964176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.964176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.964176 (E_RNA) where: Base-Base interactions energy: -1738.593 where: short stacking energy: -694.316 Base-Backbone interact. energy: -0.946 local terms energy: -711.424305 where: bonds (distance) C4'-P energy: -115.841 bonds (distance) P-C4' energy: -109.107 flat angles C4'-P-C4' energy: -159.110 flat angles P-C4'-P energy: -106.297 tors. eta vs tors. theta energy: -221.070 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: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2317.385413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.385413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.385413 (E_RNA) where: Base-Base interactions energy: -1639.568 where: short stacking energy: -671.248 Base-Backbone interact. energy: -0.727 local terms energy: -677.090926 where: bonds (distance) C4'-P energy: -119.067 bonds (distance) P-C4' energy: -114.203 flat angles C4'-P-C4' energy: -134.682 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -216.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2249.898439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.898439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.898439 (E_RNA) where: Base-Base interactions energy: -1623.564 where: short stacking energy: -659.645 Base-Backbone interact. energy: -0.299 local terms energy: -626.035446 where: bonds (distance) C4'-P energy: -123.872 bonds (distance) P-C4' energy: -86.598 flat angles C4'-P-C4' energy: -126.618 flat angles P-C4'-P energy: -95.961 tors. eta vs tors. theta energy: -192.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -2080.955791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.955791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.955791 (E_RNA) where: Base-Base interactions energy: -1491.675 where: short stacking energy: -621.515 Base-Backbone interact. energy: 3.352 local terms energy: -592.632493 where: bonds (distance) C4'-P energy: -112.792 bonds (distance) P-C4' energy: -102.711 flat angles C4'-P-C4' energy: -131.305 flat angles P-C4'-P energy: -81.254 tors. eta vs tors. theta energy: -164.570 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: 357 Temperature: 1.300000 Total energy: -1947.867639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.867639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.867639 (E_RNA) where: Base-Base interactions energy: -1376.605 where: short stacking energy: -565.035 Base-Backbone interact. energy: -3.888 local terms energy: -567.374959 where: bonds (distance) C4'-P energy: -114.024 bonds (distance) P-C4' energy: -97.649 flat angles C4'-P-C4' energy: -130.325 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -159.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -780.061114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.061114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.061114 (E_RNA) where: Base-Base interactions energy: -433.920 where: short stacking energy: -242.109 Base-Backbone interact. energy: -1.951 local terms energy: -344.190248 where: bonds (distance) C4'-P energy: -89.817 bonds (distance) P-C4' energy: -111.154 flat angles C4'-P-C4' energy: -90.144 flat angles P-C4'-P energy: -44.501 tors. eta vs tors. theta energy: -8.575 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: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2697.680829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.680829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.680829 (E_RNA) where: Base-Base interactions energy: -1910.181 where: short stacking energy: -766.232 Base-Backbone interact. energy: -2.428 local terms energy: -785.072259 where: bonds (distance) C4'-P energy: -140.903 bonds (distance) P-C4' energy: -141.428 flat angles C4'-P-C4' energy: -168.179 flat angles P-C4'-P energy: -103.221 tors. eta vs tors. theta energy: -231.342 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: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2579.045042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.045042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.045042 (E_RNA) where: Base-Base interactions energy: -1829.250 where: short stacking energy: -781.086 Base-Backbone interact. energy: -1.556 local terms energy: -748.239689 where: bonds (distance) C4'-P energy: -120.379 bonds (distance) P-C4' energy: -127.816 flat angles C4'-P-C4' energy: -162.454 flat angles P-C4'-P energy: -103.303 tors. eta vs tors. theta energy: -234.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2536.249416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.249416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.249416 (E_RNA) where: Base-Base interactions energy: -1784.017 where: short stacking energy: -725.911 Base-Backbone interact. energy: -0.920 local terms energy: -751.312781 where: bonds (distance) C4'-P energy: -131.600 bonds (distance) P-C4' energy: -129.118 flat angles C4'-P-C4' energy: -154.761 flat angles P-C4'-P energy: -119.550 tors. eta vs tors. theta energy: -216.284 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: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2434.416050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.416050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.416050 (E_RNA) where: Base-Base interactions energy: -1715.222 where: short stacking energy: -684.291 Base-Backbone interact. energy: -1.126 local terms energy: -718.067973 where: bonds (distance) C4'-P energy: -114.057 bonds (distance) P-C4' energy: -133.807 flat angles C4'-P-C4' energy: -153.039 flat angles P-C4'-P energy: -94.996 tors. eta vs tors. theta energy: -222.169 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: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2462.769660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.769660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.769660 (E_RNA) where: Base-Base interactions energy: -1770.593 where: short stacking energy: -730.815 Base-Backbone interact. energy: -1.328 local terms energy: -690.848674 where: bonds (distance) C4'-P energy: -116.267 bonds (distance) P-C4' energy: -114.030 flat angles C4'-P-C4' energy: -147.291 flat angles P-C4'-P energy: -91.951 tors. eta vs tors. theta energy: -221.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2277.955966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.955966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.955966 (E_RNA) where: Base-Base interactions energy: -1606.123 where: short stacking energy: -627.363 Base-Backbone interact. energy: -2.704 local terms energy: -669.128576 where: bonds (distance) C4'-P energy: -110.562 bonds (distance) P-C4' energy: -118.678 flat angles C4'-P-C4' energy: -152.310 flat angles P-C4'-P energy: -95.725 tors. eta vs tors. theta energy: -191.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2237.199241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.199241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.199241 (E_RNA) where: Base-Base interactions energy: -1567.008 where: short stacking energy: -649.469 Base-Backbone interact. energy: -1.112 local terms energy: -669.079234 where: bonds (distance) C4'-P energy: -113.859 bonds (distance) P-C4' energy: -105.131 flat angles C4'-P-C4' energy: -154.278 flat angles P-C4'-P energy: -98.126 tors. eta vs tors. theta energy: -197.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -2052.018556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.018556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.018556 (E_RNA) where: Base-Base interactions energy: -1456.439 where: short stacking energy: -622.984 Base-Backbone interact. energy: 3.043 local terms energy: -598.623238 where: bonds (distance) C4'-P energy: -90.091 bonds (distance) P-C4' energy: -116.097 flat angles C4'-P-C4' energy: -140.209 flat angles P-C4'-P energy: -74.561 tors. eta vs tors. theta energy: -177.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -2070.278319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.278319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.278319 (E_RNA) where: Base-Base interactions energy: -1484.432 where: short stacking energy: -594.050 Base-Backbone interact. energy: 0.781 local terms energy: -586.627386 where: bonds (distance) C4'-P energy: -97.348 bonds (distance) P-C4' energy: -115.489 flat angles C4'-P-C4' energy: -128.094 flat angles P-C4'-P energy: -87.771 tors. eta vs tors. theta energy: -157.926 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: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -789.828277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.828277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.828277 (E_RNA) where: Base-Base interactions energy: -426.452 where: short stacking energy: -231.329 Base-Backbone interact. energy: 4.575 local terms energy: -367.951255 where: bonds (distance) C4'-P energy: -96.023 bonds (distance) P-C4' energy: -130.382 flat angles C4'-P-C4' energy: -76.973 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: -2.580 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: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2670.070214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.070214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.070214 (E_RNA) where: Base-Base interactions energy: -1904.237 where: short stacking energy: -762.102 Base-Backbone interact. energy: -3.941 local terms energy: -761.891273 where: bonds (distance) C4'-P energy: -133.576 bonds (distance) P-C4' energy: -134.417 flat angles C4'-P-C4' energy: -157.428 flat angles P-C4'-P energy: -108.992 tors. eta vs tors. theta energy: -227.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2583.005298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.005298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.005298 (E_RNA) where: Base-Base interactions energy: -1817.754 where: short stacking energy: -735.921 Base-Backbone interact. energy: -1.057 local terms energy: -764.194540 where: bonds (distance) C4'-P energy: -123.515 bonds (distance) P-C4' energy: -136.736 flat angles C4'-P-C4' energy: -155.143 flat angles P-C4'-P energy: -115.267 tors. eta vs tors. theta energy: -233.533 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: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2564.282104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.282104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.282104 (E_RNA) where: Base-Base interactions energy: -1837.661 where: short stacking energy: -721.410 Base-Backbone interact. energy: -1.847 local terms energy: -724.773989 where: bonds (distance) C4'-P energy: -111.042 bonds (distance) P-C4' energy: -132.697 flat angles C4'-P-C4' energy: -160.077 flat angles P-C4'-P energy: -101.070 tors. eta vs tors. theta energy: -219.888 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: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2514.443733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.443733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.443733 (E_RNA) where: Base-Base interactions energy: -1775.006 where: short stacking energy: -739.650 Base-Backbone interact. energy: -1.733 local terms energy: -737.704668 where: bonds (distance) C4'-P energy: -120.664 bonds (distance) P-C4' energy: -126.603 flat angles C4'-P-C4' energy: -148.996 flat angles P-C4'-P energy: -109.817 tors. eta vs tors. theta energy: -231.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2436.761287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.761287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.761287 (E_RNA) where: Base-Base interactions energy: -1730.997 where: short stacking energy: -706.791 Base-Backbone interact. energy: 0.807 local terms energy: -706.571538 where: bonds (distance) C4'-P energy: -111.838 bonds (distance) P-C4' energy: -125.847 flat angles C4'-P-C4' energy: -150.609 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -218.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2286.006911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.006911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.006911 (E_RNA) where: Base-Base interactions energy: -1647.903 where: short stacking energy: -693.188 Base-Backbone interact. energy: 2.835 local terms energy: -640.938665 where: bonds (distance) C4'-P energy: -104.821 bonds (distance) P-C4' energy: -108.139 flat angles C4'-P-C4' energy: -134.578 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -212.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2204.202551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.202551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.202551 (E_RNA) where: Base-Base interactions energy: -1560.301 where: short stacking energy: -642.638 Base-Backbone interact. energy: -1.006 local terms energy: -642.895465 where: bonds (distance) C4'-P energy: -110.036 bonds (distance) P-C4' energy: -112.580 flat angles C4'-P-C4' energy: -144.015 flat angles P-C4'-P energy: -82.650 tors. eta vs tors. theta energy: -193.614 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -2066.350475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.350475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.350475 (E_RNA) where: Base-Base interactions energy: -1476.896 where: short stacking energy: -594.246 Base-Backbone interact. energy: 1.889 local terms energy: -591.344005 where: bonds (distance) C4'-P energy: -102.024 bonds (distance) P-C4' energy: -102.884 flat angles C4'-P-C4' energy: -135.103 flat angles P-C4'-P energy: -82.749 tors. eta vs tors. theta energy: -168.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -2025.201076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.201076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.201076 (E_RNA) where: Base-Base interactions energy: -1431.586 where: short stacking energy: -579.621 Base-Backbone interact. energy: -2.654 local terms energy: -590.961020 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -127.691 flat angles C4'-P-C4' energy: -109.457 flat angles P-C4'-P energy: -74.930 tors. eta vs tors. theta energy: -163.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -742.128707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.128707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.128707 (E_RNA) where: Base-Base interactions energy: -394.812 where: short stacking energy: -182.689 Base-Backbone interact. energy: -0.407 local terms energy: -346.910051 where: bonds (distance) C4'-P energy: -88.659 bonds (distance) P-C4' energy: -102.790 flat angles C4'-P-C4' energy: -105.584 flat angles P-C4'-P energy: -50.328 tors. eta vs tors. theta energy: 0.450 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: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2694.827887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.827887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.827887 (E_RNA) where: Base-Base interactions energy: -1907.667 where: short stacking energy: -779.568 Base-Backbone interact. energy: -1.788 local terms energy: -785.372903 where: bonds (distance) C4'-P energy: -148.358 bonds (distance) P-C4' energy: -125.643 flat angles C4'-P-C4' energy: -154.319 flat angles P-C4'-P energy: -117.082 tors. eta vs tors. theta energy: -239.972 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: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2574.246840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.246840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.246840 (E_RNA) where: Base-Base interactions energy: -1822.297 where: short stacking energy: -767.285 Base-Backbone interact. energy: -1.323 local terms energy: -750.627689 where: bonds (distance) C4'-P energy: -118.581 bonds (distance) P-C4' energy: -132.221 flat angles C4'-P-C4' energy: -151.426 flat angles P-C4'-P energy: -112.024 tors. eta vs tors. theta energy: -236.375 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: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2580.367481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.367481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.367481 (E_RNA) where: Base-Base interactions energy: -1837.544 where: short stacking energy: -734.974 Base-Backbone interact. energy: -3.391 local terms energy: -739.432561 where: bonds (distance) C4'-P energy: -122.954 bonds (distance) P-C4' energy: -136.436 flat angles C4'-P-C4' energy: -151.791 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -218.359 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: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2520.620038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.620038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.620038 (E_RNA) where: Base-Base interactions energy: -1792.188 where: short stacking energy: -712.376 Base-Backbone interact. energy: -1.239 local terms energy: -727.192725 where: bonds (distance) C4'-P energy: -125.616 bonds (distance) P-C4' energy: -137.080 flat angles C4'-P-C4' energy: -151.666 flat angles P-C4'-P energy: -94.099 tors. eta vs tors. theta energy: -218.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2411.673819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.673819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.673819 (E_RNA) where: Base-Base interactions energy: -1722.691 where: short stacking energy: -715.244 Base-Backbone interact. energy: -4.768 local terms energy: -684.214751 where: bonds (distance) C4'-P energy: -93.163 bonds (distance) P-C4' energy: -128.093 flat angles C4'-P-C4' energy: -146.275 flat angles P-C4'-P energy: -98.565 tors. eta vs tors. theta energy: -218.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2334.263748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.263748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.263748 (E_RNA) where: Base-Base interactions energy: -1647.782 where: short stacking energy: -683.690 Base-Backbone interact. energy: 0.722 local terms energy: -687.203669 where: bonds (distance) C4'-P energy: -110.566 bonds (distance) P-C4' energy: -119.102 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -99.692 tors. eta vs tors. theta energy: -217.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2188.773534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.773534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.773534 (E_RNA) where: Base-Base interactions energy: -1548.787 where: short stacking energy: -636.869 Base-Backbone interact. energy: 0.097 local terms energy: -640.084077 where: bonds (distance) C4'-P energy: -101.163 bonds (distance) P-C4' energy: -108.998 flat angles C4'-P-C4' energy: -139.678 flat angles P-C4'-P energy: -104.114 tors. eta vs tors. theta energy: -186.131 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: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -2082.490981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.490981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.490981 (E_RNA) where: Base-Base interactions energy: -1490.938 where: short stacking energy: -581.237 Base-Backbone interact. energy: -0.482 local terms energy: -591.071189 where: bonds (distance) C4'-P energy: -93.121 bonds (distance) P-C4' energy: -106.565 flat angles C4'-P-C4' energy: -116.589 flat angles P-C4'-P energy: -90.012 tors. eta vs tors. theta energy: -184.784 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: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -2045.342195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.342195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.342195 (E_RNA) where: Base-Base interactions energy: -1409.899 where: short stacking energy: -553.210 Base-Backbone interact. energy: -0.674 local terms energy: -634.769423 where: bonds (distance) C4'-P energy: -106.756 bonds (distance) P-C4' energy: -102.501 flat angles C4'-P-C4' energy: -146.030 flat angles P-C4'-P energy: -104.210 tors. eta vs tors. theta energy: -175.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -753.538646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.538646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.538646 (E_RNA) where: Base-Base interactions energy: -361.115 where: short stacking energy: -188.059 Base-Backbone interact. energy: 1.118 local terms energy: -393.541682 where: bonds (distance) C4'-P energy: -115.739 bonds (distance) P-C4' energy: -127.954 flat angles C4'-P-C4' energy: -91.941 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -3.657 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: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2659.298562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.298562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.298562 (E_RNA) where: Base-Base interactions energy: -1890.715 where: short stacking energy: -765.365 Base-Backbone interact. energy: 1.728 local terms energy: -770.311521 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -139.815 flat angles C4'-P-C4' energy: -153.190 flat angles P-C4'-P energy: -111.813 tors. eta vs tors. theta energy: -227.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2594.120141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.120141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.120141 (E_RNA) where: Base-Base interactions energy: -1862.387 where: short stacking energy: -753.530 Base-Backbone interact. energy: -1.820 local terms energy: -729.912956 where: bonds (distance) C4'-P energy: -136.708 bonds (distance) P-C4' energy: -123.326 flat angles C4'-P-C4' energy: -148.290 flat angles P-C4'-P energy: -99.799 tors. eta vs tors. theta energy: -221.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2530.281204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.281204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.281204 (E_RNA) where: Base-Base interactions energy: -1778.028 where: short stacking energy: -728.372 Base-Backbone interact. energy: 3.488 local terms energy: -755.741324 where: bonds (distance) C4'-P energy: -128.094 bonds (distance) P-C4' energy: -132.915 flat angles C4'-P-C4' energy: -163.310 flat angles P-C4'-P energy: -107.392 tors. eta vs tors. theta energy: -224.030 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: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2499.188212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.188212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.188212 (E_RNA) where: Base-Base interactions energy: -1784.006 where: short stacking energy: -734.455 Base-Backbone interact. energy: -0.153 local terms energy: -715.029112 where: bonds (distance) C4'-P energy: -122.649 bonds (distance) P-C4' energy: -119.495 flat angles C4'-P-C4' energy: -149.293 flat angles P-C4'-P energy: -98.392 tors. eta vs tors. theta energy: -225.200 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: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2456.433536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.433536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.433536 (E_RNA) where: Base-Base interactions energy: -1748.933 where: short stacking energy: -696.019 Base-Backbone interact. energy: -1.968 local terms energy: -705.532525 where: bonds (distance) C4'-P energy: -119.085 bonds (distance) P-C4' energy: -121.998 flat angles C4'-P-C4' energy: -153.932 flat angles P-C4'-P energy: -88.722 tors. eta vs tors. theta energy: -221.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2316.132187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.132187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.132187 (E_RNA) where: Base-Base interactions energy: -1647.200 where: short stacking energy: -675.734 Base-Backbone interact. energy: 2.039 local terms energy: -670.971545 where: bonds (distance) C4'-P energy: -103.101 bonds (distance) P-C4' energy: -119.828 flat angles C4'-P-C4' energy: -150.559 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -213.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2215.228216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.228216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.228216 (E_RNA) where: Base-Base interactions energy: -1584.541 where: short stacking energy: -636.585 Base-Backbone interact. energy: -2.446 local terms energy: -628.241278 where: bonds (distance) C4'-P energy: -115.433 bonds (distance) P-C4' energy: -94.690 flat angles C4'-P-C4' energy: -135.654 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -192.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -2102.150940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.150940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.150940 (E_RNA) where: Base-Base interactions energy: -1497.964 where: short stacking energy: -587.888 Base-Backbone interact. energy: 0.320 local terms energy: -604.506303 where: bonds (distance) C4'-P energy: -99.786 bonds (distance) P-C4' energy: -99.526 flat angles C4'-P-C4' energy: -145.686 flat angles P-C4'-P energy: -85.574 tors. eta vs tors. theta energy: -173.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -2016.610849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.610849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.610849 (E_RNA) where: Base-Base interactions energy: -1433.774 where: short stacking energy: -584.870 Base-Backbone interact. energy: 0.733 local terms energy: -583.570214 where: bonds (distance) C4'-P energy: -118.799 bonds (distance) P-C4' energy: -102.311 flat angles C4'-P-C4' energy: -120.460 flat angles P-C4'-P energy: -65.751 tors. eta vs tors. theta energy: -176.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -795.572887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.572887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.572887 (E_RNA) where: Base-Base interactions energy: -425.256 where: short stacking energy: -220.418 Base-Backbone interact. energy: 0.788 local terms energy: -371.105164 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -119.286 flat angles C4'-P-C4' energy: -98.428 flat angles P-C4'-P energy: -57.247 tors. eta vs tors. theta energy: 3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2675.360593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.360593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.360593 (E_RNA) where: Base-Base interactions energy: -1905.594 where: short stacking energy: -770.961 Base-Backbone interact. energy: -2.117 local terms energy: -767.649500 where: bonds (distance) C4'-P energy: -132.312 bonds (distance) P-C4' energy: -136.412 flat angles C4'-P-C4' energy: -155.090 flat angles P-C4'-P energy: -110.578 tors. eta vs tors. theta energy: -233.257 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: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2591.095900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.095900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.095900 (E_RNA) where: Base-Base interactions energy: -1842.533 where: short stacking energy: -733.228 Base-Backbone interact. energy: -1.538 local terms energy: -747.025162 where: bonds (distance) C4'-P energy: -138.406 bonds (distance) P-C4' energy: -127.694 flat angles C4'-P-C4' energy: -160.254 flat angles P-C4'-P energy: -101.848 tors. eta vs tors. theta energy: -218.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2534.491986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.491986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.491986 (E_RNA) where: Base-Base interactions energy: -1767.783 where: short stacking energy: -740.297 Base-Backbone interact. energy: 0.046 local terms energy: -766.755416 where: bonds (distance) C4'-P energy: -127.300 bonds (distance) P-C4' energy: -131.730 flat angles C4'-P-C4' energy: -157.327 flat angles P-C4'-P energy: -117.121 tors. eta vs tors. theta energy: -233.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2441.115298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.115298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.115298 (E_RNA) where: Base-Base interactions energy: -1723.481 where: short stacking energy: -716.899 Base-Backbone interact. energy: -1.067 local terms energy: -716.568043 where: bonds (distance) C4'-P energy: -118.868 bonds (distance) P-C4' energy: -117.181 flat angles C4'-P-C4' energy: -147.278 flat angles P-C4'-P energy: -106.915 tors. eta vs tors. theta energy: -226.326 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: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2450.875400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.875400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.875400 (E_RNA) where: Base-Base interactions energy: -1749.386 where: short stacking energy: -709.324 Base-Backbone interact. energy: -1.842 local terms energy: -699.647048 where: bonds (distance) C4'-P energy: -111.266 bonds (distance) P-C4' energy: -114.062 flat angles C4'-P-C4' energy: -150.895 flat angles P-C4'-P energy: -100.506 tors. eta vs tors. theta energy: -222.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2344.989169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.989169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.989169 (E_RNA) where: Base-Base interactions energy: -1641.739 where: short stacking energy: -676.288 Base-Backbone interact. energy: -1.630 local terms energy: -701.619619 where: bonds (distance) C4'-P energy: -121.424 bonds (distance) P-C4' energy: -127.938 flat angles C4'-P-C4' energy: -152.260 flat angles P-C4'-P energy: -86.261 tors. eta vs tors. theta energy: -213.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2173.331911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.331911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.331911 (E_RNA) where: Base-Base interactions energy: -1536.710 where: short stacking energy: -652.998 Base-Backbone interact. energy: -0.846 local terms energy: -635.775648 where: bonds (distance) C4'-P energy: -126.520 bonds (distance) P-C4' energy: -104.078 flat angles C4'-P-C4' energy: -129.665 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -195.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -2149.323122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.323122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.323122 (E_RNA) where: Base-Base interactions energy: -1532.644 where: short stacking energy: -596.710 Base-Backbone interact. energy: -2.366 local terms energy: -614.313091 where: bonds (distance) C4'-P energy: -109.854 bonds (distance) P-C4' energy: -113.919 flat angles C4'-P-C4' energy: -121.607 flat angles P-C4'-P energy: -86.295 tors. eta vs tors. theta energy: -182.638 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: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -2026.606107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.606107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.606107 (E_RNA) where: Base-Base interactions energy: -1453.340 where: short stacking energy: -584.818 Base-Backbone interact. energy: -0.105 local terms energy: -573.160887 where: bonds (distance) C4'-P energy: -89.822 bonds (distance) P-C4' energy: -98.047 flat angles C4'-P-C4' energy: -121.536 flat angles P-C4'-P energy: -105.215 tors. eta vs tors. theta energy: -158.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -760.095463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.095463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.095463 (E_RNA) where: Base-Base interactions energy: -393.159 where: short stacking energy: -209.030 Base-Backbone interact. energy: 0.054 local terms energy: -366.990511 where: bonds (distance) C4'-P energy: -110.597 bonds (distance) P-C4' energy: -96.860 flat angles C4'-P-C4' energy: -102.899 flat angles P-C4'-P energy: -59.403 tors. eta vs tors. theta energy: 2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2663.996094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.996094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.996094 (E_RNA) where: Base-Base interactions energy: -1909.668 where: short stacking energy: -779.488 Base-Backbone interact. energy: -3.256 local terms energy: -751.071702 where: bonds (distance) C4'-P energy: -139.900 bonds (distance) P-C4' energy: -131.139 flat angles C4'-P-C4' energy: -148.841 flat angles P-C4'-P energy: -98.090 tors. eta vs tors. theta energy: -233.102 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: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2633.683445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.683445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.683445 (E_RNA) where: Base-Base interactions energy: -1895.965 where: short stacking energy: -759.276 Base-Backbone interact. energy: -0.417 local terms energy: -737.301383 where: bonds (distance) C4'-P energy: -133.563 bonds (distance) P-C4' energy: -127.040 flat angles C4'-P-C4' energy: -148.542 flat angles P-C4'-P energy: -103.592 tors. eta vs tors. theta energy: -224.564 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: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2531.365016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.365016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.365016 (E_RNA) where: Base-Base interactions energy: -1787.083 where: short stacking energy: -726.935 Base-Backbone interact. energy: -2.745 local terms energy: -741.536649 where: bonds (distance) C4'-P energy: -120.416 bonds (distance) P-C4' energy: -127.696 flat angles C4'-P-C4' energy: -164.609 flat angles P-C4'-P energy: -99.706 tors. eta vs tors. theta energy: -229.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2454.259451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.259451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.259451 (E_RNA) where: Base-Base interactions energy: -1707.632 where: short stacking energy: -701.394 Base-Backbone interact. energy: -2.864 local terms energy: -743.763061 where: bonds (distance) C4'-P energy: -131.376 bonds (distance) P-C4' energy: -124.119 flat angles C4'-P-C4' energy: -154.994 flat angles P-C4'-P energy: -107.177 tors. eta vs tors. theta energy: -226.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2456.810053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.810053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.810053 (E_RNA) where: Base-Base interactions energy: -1745.155 where: short stacking energy: -704.844 Base-Backbone interact. energy: -0.852 local terms energy: -710.803849 where: bonds (distance) C4'-P energy: -128.216 bonds (distance) P-C4' energy: -110.180 flat angles C4'-P-C4' energy: -157.114 flat angles P-C4'-P energy: -91.887 tors. eta vs tors. theta energy: -223.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2332.048811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.048811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.048811 (E_RNA) where: Base-Base interactions energy: -1629.012 where: short stacking energy: -660.932 Base-Backbone interact. energy: -0.328 local terms energy: -702.708576 where: bonds (distance) C4'-P energy: -107.900 bonds (distance) P-C4' energy: -133.709 flat angles C4'-P-C4' energy: -143.781 flat angles P-C4'-P energy: -106.403 tors. eta vs tors. theta energy: -210.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2195.997740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.997740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.997740 (E_RNA) where: Base-Base interactions energy: -1564.673 where: short stacking energy: -632.688 Base-Backbone interact. energy: -0.652 local terms energy: -630.673535 where: bonds (distance) C4'-P energy: -118.688 bonds (distance) P-C4' energy: -111.432 flat angles C4'-P-C4' energy: -134.946 flat angles P-C4'-P energy: -65.832 tors. eta vs tors. theta energy: -199.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2135.645533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.645533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.645533 (E_RNA) where: Base-Base interactions energy: -1527.835 where: short stacking energy: -615.265 Base-Backbone interact. energy: 0.782 local terms energy: -608.592135 where: bonds (distance) C4'-P energy: -92.154 bonds (distance) P-C4' energy: -119.088 flat angles C4'-P-C4' energy: -131.569 flat angles P-C4'-P energy: -80.785 tors. eta vs tors. theta energy: -184.998 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: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -2015.944901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.944901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.944901 (E_RNA) where: Base-Base interactions energy: -1428.728 where: short stacking energy: -579.492 Base-Backbone interact. energy: 1.379 local terms energy: -588.595914 where: bonds (distance) C4'-P energy: -110.005 bonds (distance) P-C4' energy: -116.493 flat angles C4'-P-C4' energy: -135.830 flat angles P-C4'-P energy: -63.773 tors. eta vs tors. theta energy: -162.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -761.936955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.936955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.936955 (E_RNA) where: Base-Base interactions energy: -406.124 where: short stacking energy: -224.215 Base-Backbone interact. energy: 1.810 local terms energy: -357.622616 where: bonds (distance) C4'-P energy: -92.759 bonds (distance) P-C4' energy: -108.689 flat angles C4'-P-C4' energy: -91.176 flat angles P-C4'-P energy: -67.672 tors. eta vs tors. theta energy: 2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2664.027321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.027321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.027321 (E_RNA) where: Base-Base interactions energy: -1889.310 where: short stacking energy: -759.843 Base-Backbone interact. energy: -0.984 local terms energy: -773.733485 where: bonds (distance) C4'-P energy: -125.237 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -155.019 flat angles P-C4'-P energy: -107.000 tors. eta vs tors. theta energy: -237.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2647.323968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.323968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.323968 (E_RNA) where: Base-Base interactions energy: -1879.069 where: short stacking energy: -752.878 Base-Backbone interact. energy: -5.318 local terms energy: -762.937663 where: bonds (distance) C4'-P energy: -122.741 bonds (distance) P-C4' energy: -140.063 flat angles C4'-P-C4' energy: -167.502 flat angles P-C4'-P energy: -108.530 tors. eta vs tors. theta energy: -224.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2559.902786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.902786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.902786 (E_RNA) where: Base-Base interactions energy: -1819.678 where: short stacking energy: -733.730 Base-Backbone interact. energy: 1.554 local terms energy: -741.779028 where: bonds (distance) C4'-P energy: -126.085 bonds (distance) P-C4' energy: -135.380 flat angles C4'-P-C4' energy: -155.897 flat angles P-C4'-P energy: -98.760 tors. eta vs tors. theta energy: -225.657 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: 364 Temperature: 1.050000 Total energy: -2448.111572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.111572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.111572 (E_RNA) where: Base-Base interactions energy: -1711.821 where: short stacking energy: -707.783 Base-Backbone interact. energy: -1.608 local terms energy: -734.683075 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -135.915 flat angles C4'-P-C4' energy: -158.504 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -210.788 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: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2466.120131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.120131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.120131 (E_RNA) where: Base-Base interactions energy: -1743.038 where: short stacking energy: -719.807 Base-Backbone interact. energy: -1.532 local terms energy: -721.550192 where: bonds (distance) C4'-P energy: -108.870 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -161.265 flat angles P-C4'-P energy: -95.915 tors. eta vs tors. theta energy: -225.174 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: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2283.553785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.553785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.553785 (E_RNA) where: Base-Base interactions energy: -1650.262 where: short stacking energy: -698.407 Base-Backbone interact. energy: -0.503 local terms energy: -632.789309 where: bonds (distance) C4'-P energy: -94.565 bonds (distance) P-C4' energy: -91.337 flat angles C4'-P-C4' energy: -140.378 flat angles P-C4'-P energy: -99.460 tors. eta vs tors. theta energy: -207.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2258.871153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.871153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.871153 (E_RNA) where: Base-Base interactions energy: -1597.183 where: short stacking energy: -664.910 Base-Backbone interact. energy: -2.275 local terms energy: -659.413461 where: bonds (distance) C4'-P energy: -98.040 bonds (distance) P-C4' energy: -130.028 flat angles C4'-P-C4' energy: -130.388 flat angles P-C4'-P energy: -106.755 tors. eta vs tors. theta energy: -194.203 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: 364 Temperature: 1.250000 Total energy: -2065.372416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.372416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.372416 (E_RNA) where: Base-Base interactions energy: -1471.377 where: short stacking energy: -606.329 Base-Backbone interact. energy: 1.974 local terms energy: -595.968797 where: bonds (distance) C4'-P energy: -97.270 bonds (distance) P-C4' energy: -99.294 flat angles C4'-P-C4' energy: -121.757 flat angles P-C4'-P energy: -92.493 tors. eta vs tors. theta energy: -185.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1988.060182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.060182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.060182 (E_RNA) where: Base-Base interactions energy: -1396.850 where: short stacking energy: -561.810 Base-Backbone interact. energy: -2.139 local terms energy: -589.071187 where: bonds (distance) C4'-P energy: -120.694 bonds (distance) P-C4' energy: -103.448 flat angles C4'-P-C4' energy: -123.681 flat angles P-C4'-P energy: -83.715 tors. eta vs tors. theta energy: -157.534 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: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -747.077224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.077224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.077224 (E_RNA) where: Base-Base interactions energy: -369.650 where: short stacking energy: -189.286 Base-Backbone interact. energy: 0.587 local terms energy: -378.014518 where: bonds (distance) C4'-P energy: -102.193 bonds (distance) P-C4' energy: -126.282 flat angles C4'-P-C4' energy: -91.788 flat angles P-C4'-P energy: -62.703 tors. eta vs tors. theta energy: 4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2669.910178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.910178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.910178 (E_RNA) where: Base-Base interactions energy: -1896.028 where: short stacking energy: -772.630 Base-Backbone interact. energy: 1.746 local terms energy: -775.628603 where: bonds (distance) C4'-P energy: -140.878 bonds (distance) P-C4' energy: -123.305 flat angles C4'-P-C4' energy: -158.290 flat angles P-C4'-P energy: -118.140 tors. eta vs tors. theta energy: -235.015 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: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2619.296875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.296875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.296875 (E_RNA) where: Base-Base interactions energy: -1857.084 where: short stacking energy: -742.432 Base-Backbone interact. energy: -2.667 local terms energy: -759.545945 where: bonds (distance) C4'-P energy: -144.176 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -156.009 flat angles P-C4'-P energy: -106.134 tors. eta vs tors. theta energy: -224.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2567.673805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.673805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.673805 (E_RNA) where: Base-Base interactions energy: -1809.622 where: short stacking energy: -742.397 Base-Backbone interact. energy: -0.937 local terms energy: -757.114496 where: bonds (distance) C4'-P energy: -130.639 bonds (distance) P-C4' energy: -121.214 flat angles C4'-P-C4' energy: -159.216 flat angles P-C4'-P energy: -110.441 tors. eta vs tors. theta energy: -235.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2473.917363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.917363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.917363 (E_RNA) where: Base-Base interactions energy: -1758.851 where: short stacking energy: -720.976 Base-Backbone interact. energy: -2.227 local terms energy: -712.838899 where: bonds (distance) C4'-P energy: -120.616 bonds (distance) P-C4' energy: -116.060 flat angles C4'-P-C4' energy: -158.821 flat angles P-C4'-P energy: -87.414 tors. eta vs tors. theta energy: -229.929 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: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2517.445186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.445186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.445186 (E_RNA) where: Base-Base interactions energy: -1802.032 where: short stacking energy: -737.626 Base-Backbone interact. energy: 2.332 local terms energy: -717.744919 where: bonds (distance) C4'-P energy: -125.599 bonds (distance) P-C4' energy: -123.725 flat angles C4'-P-C4' energy: -136.603 flat angles P-C4'-P energy: -102.678 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: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2302.659629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.659629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.659629 (E_RNA) where: Base-Base interactions energy: -1642.263 where: short stacking energy: -675.610 Base-Backbone interact. energy: -0.844 local terms energy: -659.552471 where: bonds (distance) C4'-P energy: -99.050 bonds (distance) P-C4' energy: -124.820 flat angles C4'-P-C4' energy: -142.794 flat angles P-C4'-P energy: -92.260 tors. eta vs tors. theta energy: -200.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2274.794891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.794891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.794891 (E_RNA) where: Base-Base interactions energy: -1613.719 where: short stacking energy: -660.171 Base-Backbone interact. energy: -1.578 local terms energy: -659.498025 where: bonds (distance) C4'-P energy: -116.952 bonds (distance) P-C4' energy: -105.362 flat angles C4'-P-C4' energy: -133.584 flat angles P-C4'-P energy: -86.794 tors. eta vs tors. theta energy: -216.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2059.237346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.237346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.237346 (E_RNA) where: Base-Base interactions energy: -1443.989 where: short stacking energy: -611.421 Base-Backbone interact. energy: 4.041 local terms energy: -619.289638 where: bonds (distance) C4'-P energy: -112.744 bonds (distance) P-C4' energy: -107.587 flat angles C4'-P-C4' energy: -131.598 flat angles P-C4'-P energy: -77.163 tors. eta vs tors. theta energy: -190.197 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: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -2028.372297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.372297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.372297 (E_RNA) where: Base-Base interactions energy: -1456.290 where: short stacking energy: -580.701 Base-Backbone interact. energy: -1.274 local terms energy: -570.808148 where: bonds (distance) C4'-P energy: -98.770 bonds (distance) P-C4' energy: -110.918 flat angles C4'-P-C4' energy: -119.810 flat angles P-C4'-P energy: -86.072 tors. eta vs tors. theta energy: -155.239 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: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -760.857920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.857920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.857920 (E_RNA) where: Base-Base interactions energy: -398.202 where: short stacking energy: -207.283 Base-Backbone interact. energy: 4.303 local terms energy: -366.958868 where: bonds (distance) C4'-P energy: -107.404 bonds (distance) P-C4' energy: -111.309 flat angles C4'-P-C4' energy: -86.587 flat angles P-C4'-P energy: -67.931 tors. eta vs tors. theta energy: 6.272 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: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2651.375063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.375063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.375063 (E_RNA) where: Base-Base interactions energy: -1888.187 where: short stacking energy: -763.880 Base-Backbone interact. energy: -0.460 local terms energy: -762.727936 where: bonds (distance) C4'-P energy: -139.155 bonds (distance) P-C4' energy: -125.654 flat angles C4'-P-C4' energy: -162.976 flat angles P-C4'-P energy: -101.121 tors. eta vs tors. theta energy: -233.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2633.585970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.585970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.585970 (E_RNA) where: Base-Base interactions energy: -1911.781 where: short stacking energy: -744.437 Base-Backbone interact. energy: -1.147 local terms energy: -720.658384 where: bonds (distance) C4'-P energy: -125.759 bonds (distance) P-C4' energy: -126.634 flat angles C4'-P-C4' energy: -146.909 flat angles P-C4'-P energy: -107.979 tors. eta vs tors. theta energy: -213.377 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: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2533.342206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.342206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.342206 (E_RNA) where: Base-Base interactions energy: -1793.744 where: short stacking energy: -750.564 Base-Backbone interact. energy: -3.405 local terms energy: -736.192761 where: bonds (distance) C4'-P energy: -131.776 bonds (distance) P-C4' energy: -118.234 flat angles C4'-P-C4' energy: -150.917 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -234.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2496.399420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.399420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.399420 (E_RNA) where: Base-Base interactions energy: -1769.987 where: short stacking energy: -732.565 Base-Backbone interact. energy: -1.655 local terms energy: -724.757203 where: bonds (distance) C4'-P energy: -120.795 bonds (distance) P-C4' energy: -119.092 flat angles C4'-P-C4' energy: -156.061 flat angles P-C4'-P energy: -98.927 tors. eta vs tors. theta energy: -229.881 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: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2460.367367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.367367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.367367 (E_RNA) where: Base-Base interactions energy: -1730.642 where: short stacking energy: -709.599 Base-Backbone interact. energy: 0.249 local terms energy: -729.974151 where: bonds (distance) C4'-P energy: -122.764 bonds (distance) P-C4' energy: -125.212 flat angles C4'-P-C4' energy: -145.625 flat angles P-C4'-P energy: -113.098 tors. eta vs tors. theta energy: -223.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2305.640302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.640302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.640302 (E_RNA) where: Base-Base interactions energy: -1648.439 where: short stacking energy: -663.055 Base-Backbone interact. energy: 0.093 local terms energy: -657.294972 where: bonds (distance) C4'-P energy: -115.730 bonds (distance) P-C4' energy: -114.418 flat angles C4'-P-C4' energy: -134.886 flat angles P-C4'-P energy: -87.012 tors. eta vs tors. theta energy: -205.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2253.473921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.473921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.473921 (E_RNA) where: Base-Base interactions energy: -1584.979 where: short stacking energy: -641.060 Base-Backbone interact. energy: -4.471 local terms energy: -664.023804 where: bonds (distance) C4'-P energy: -118.123 bonds (distance) P-C4' energy: -113.328 flat angles C4'-P-C4' energy: -136.538 flat angles P-C4'-P energy: -97.508 tors. eta vs tors. theta energy: -198.526 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: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2084.646661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.646661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.646661 (E_RNA) where: Base-Base interactions energy: -1487.867 where: short stacking energy: -596.713 Base-Backbone interact. energy: -1.249 local terms energy: -595.530671 where: bonds (distance) C4'-P energy: -88.190 bonds (distance) P-C4' energy: -116.932 flat angles C4'-P-C4' energy: -121.354 flat angles P-C4'-P energy: -93.201 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: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -2042.308972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.308972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.308972 (E_RNA) where: Base-Base interactions energy: -1452.634 where: short stacking energy: -588.017 Base-Backbone interact. energy: 0.144 local terms energy: -589.818691 where: bonds (distance) C4'-P energy: -94.083 bonds (distance) P-C4' energy: -88.911 flat angles C4'-P-C4' energy: -138.555 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -176.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -800.496512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.496512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.496512 (E_RNA) where: Base-Base interactions energy: -450.277 where: short stacking energy: -226.311 Base-Backbone interact. energy: 7.545 local terms energy: -357.764432 where: bonds (distance) C4'-P energy: -101.424 bonds (distance) P-C4' energy: -122.704 flat angles C4'-P-C4' energy: -87.275 flat angles P-C4'-P energy: -45.478 tors. eta vs tors. theta energy: -0.883 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: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2678.068007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.068007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.068007 (E_RNA) where: Base-Base interactions energy: -1915.192 where: short stacking energy: -767.029 Base-Backbone interact. energy: -2.321 local terms energy: -760.554240 where: bonds (distance) C4'-P energy: -136.481 bonds (distance) P-C4' energy: -141.222 flat angles C4'-P-C4' energy: -155.210 flat angles P-C4'-P energy: -99.065 tors. eta vs tors. theta energy: -228.575 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: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2637.751756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.751756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.751756 (E_RNA) where: Base-Base interactions energy: -1912.436 where: short stacking energy: -759.158 Base-Backbone interact. energy: 3.905 local terms energy: -729.220129 where: bonds (distance) C4'-P energy: -129.293 bonds (distance) P-C4' energy: -131.432 flat angles C4'-P-C4' energy: -149.382 flat angles P-C4'-P energy: -99.425 tors. eta vs tors. theta energy: -219.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2531.951111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.951111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.951111 (E_RNA) where: Base-Base interactions energy: -1799.035 where: short stacking energy: -746.414 Base-Backbone interact. energy: -2.394 local terms energy: -730.522078 where: bonds (distance) C4'-P energy: -117.881 bonds (distance) P-C4' energy: -127.083 flat angles C4'-P-C4' energy: -152.307 flat angles P-C4'-P energy: -106.982 tors. eta vs tors. theta energy: -226.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2502.602480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.602480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.602480 (E_RNA) where: Base-Base interactions energy: -1790.509 where: short stacking energy: -736.737 Base-Backbone interact. energy: 0.973 local terms energy: -713.066933 where: bonds (distance) C4'-P energy: -121.482 bonds (distance) P-C4' energy: -110.955 flat angles C4'-P-C4' energy: -145.305 flat angles P-C4'-P energy: -108.444 tors. eta vs tors. theta energy: -226.881 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: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2459.018155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.018155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.018155 (E_RNA) where: Base-Base interactions energy: -1747.044 where: short stacking energy: -708.082 Base-Backbone interact. energy: -1.385 local terms energy: -710.588890 where: bonds (distance) C4'-P energy: -132.488 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -142.408 flat angles P-C4'-P energy: -106.974 tors. eta vs tors. theta energy: -221.414 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: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2328.197237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.197237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.197237 (E_RNA) where: Base-Base interactions energy: -1652.234 where: short stacking energy: -687.494 Base-Backbone interact. energy: -0.287 local terms energy: -675.676639 where: bonds (distance) C4'-P energy: -104.631 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -140.440 flat angles P-C4'-P energy: -81.765 tors. eta vs tors. theta energy: -215.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2248.488848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.488848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.488848 (E_RNA) where: Base-Base interactions energy: -1614.707 where: short stacking energy: -645.944 Base-Backbone interact. energy: 2.846 local terms energy: -636.627641 where: bonds (distance) C4'-P energy: -111.067 bonds (distance) P-C4' energy: -98.904 flat angles C4'-P-C4' energy: -141.249 flat angles P-C4'-P energy: -87.973 tors. eta vs tors. theta energy: -197.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2046.099738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.099738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.099738 (E_RNA) where: Base-Base interactions energy: -1444.795 where: short stacking energy: -590.997 Base-Backbone interact. energy: 10.175 local terms energy: -611.479496 where: bonds (distance) C4'-P energy: -93.675 bonds (distance) P-C4' energy: -113.312 flat angles C4'-P-C4' energy: -133.315 flat angles P-C4'-P energy: -82.563 tors. eta vs tors. theta energy: -188.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -2018.190854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.190854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.190854 (E_RNA) where: Base-Base interactions energy: -1432.020 where: short stacking energy: -579.422 Base-Backbone interact. energy: -0.880 local terms energy: -585.290225 where: bonds (distance) C4'-P energy: -107.229 bonds (distance) P-C4' energy: -107.325 flat angles C4'-P-C4' energy: -127.394 flat angles P-C4'-P energy: -84.168 tors. eta vs tors. theta energy: -159.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -814.716897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.716897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.716897 (E_RNA) where: Base-Base interactions energy: -450.983 where: short stacking energy: -253.444 Base-Backbone interact. energy: 3.242 local terms energy: -366.975650 where: bonds (distance) C4'-P energy: -96.912 bonds (distance) P-C4' energy: -107.937 flat angles C4'-P-C4' energy: -110.687 flat angles P-C4'-P energy: -40.366 tors. eta vs tors. theta energy: -11.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2656.293479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.293479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.293479 (E_RNA) where: Base-Base interactions energy: -1874.825 where: short stacking energy: -739.230 Base-Backbone interact. energy: -1.072 local terms energy: -780.397142 where: bonds (distance) C4'-P energy: -134.967 bonds (distance) P-C4' energy: -140.426 flat angles C4'-P-C4' energy: -164.568 flat angles P-C4'-P energy: -110.442 tors. eta vs tors. theta energy: -229.995 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: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2607.959416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.959416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.959416 (E_RNA) where: Base-Base interactions energy: -1871.643 where: short stacking energy: -737.538 Base-Backbone interact. energy: -2.386 local terms energy: -733.930998 where: bonds (distance) C4'-P energy: -130.911 bonds (distance) P-C4' energy: -130.402 flat angles C4'-P-C4' energy: -149.478 flat angles P-C4'-P energy: -102.811 tors. eta vs tors. theta energy: -220.328 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: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2524.402648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.402648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.402648 (E_RNA) where: Base-Base interactions energy: -1762.193 where: short stacking energy: -720.030 Base-Backbone interact. energy: -1.188 local terms energy: -761.021620 where: bonds (distance) C4'-P energy: -127.165 bonds (distance) P-C4' energy: -128.478 flat angles C4'-P-C4' energy: -163.602 flat angles P-C4'-P energy: -111.667 tors. eta vs tors. theta energy: -230.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2478.461415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.461415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.461415 (E_RNA) where: Base-Base interactions energy: -1735.822 where: short stacking energy: -708.582 Base-Backbone interact. energy: -2.030 local terms energy: -740.609734 where: bonds (distance) C4'-P energy: -112.014 bonds (distance) P-C4' energy: -130.357 flat angles C4'-P-C4' energy: -168.360 flat angles P-C4'-P energy: -105.864 tors. eta vs tors. theta energy: -224.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2489.979982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.979982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.979982 (E_RNA) where: Base-Base interactions energy: -1769.037 where: short stacking energy: -735.006 Base-Backbone interact. energy: -2.694 local terms energy: -718.249292 where: bonds (distance) C4'-P energy: -117.242 bonds (distance) P-C4' energy: -116.500 flat angles C4'-P-C4' energy: -142.601 flat angles P-C4'-P energy: -117.939 tors. eta vs tors. theta energy: -223.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2336.178173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.178173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.178173 (E_RNA) where: Base-Base interactions energy: -1666.770 where: short stacking energy: -668.436 Base-Backbone interact. energy: 1.273 local terms energy: -670.680690 where: bonds (distance) C4'-P energy: -118.685 bonds (distance) P-C4' energy: -109.982 flat angles C4'-P-C4' energy: -147.098 flat angles P-C4'-P energy: -88.218 tors. eta vs tors. theta energy: -206.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2186.755915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.755915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.755915 (E_RNA) where: Base-Base interactions energy: -1540.722 where: short stacking energy: -648.497 Base-Backbone interact. energy: -2.598 local terms energy: -643.435094 where: bonds (distance) C4'-P energy: -100.423 bonds (distance) P-C4' energy: -126.254 flat angles C4'-P-C4' energy: -124.961 flat angles P-C4'-P energy: -87.727 tors. eta vs tors. theta energy: -204.070 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: 368 Temperature: 1.250000 Total energy: -2072.048776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.048776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.048776 (E_RNA) where: Base-Base interactions energy: -1463.404 where: short stacking energy: -588.733 Base-Backbone interact. energy: -2.174 local terms energy: -606.470817 where: bonds (distance) C4'-P energy: -103.053 bonds (distance) P-C4' energy: -113.182 flat angles C4'-P-C4' energy: -134.191 flat angles P-C4'-P energy: -85.718 tors. eta vs tors. theta energy: -170.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1920.294224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.294224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.294224 (E_RNA) where: Base-Base interactions energy: -1383.302 where: short stacking energy: -548.212 Base-Backbone interact. energy: 0.278 local terms energy: -537.269838 where: bonds (distance) C4'-P energy: -103.009 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -117.910 flat angles P-C4'-P energy: -64.619 tors. eta vs tors. theta energy: -141.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -744.089637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.089637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.089637 (E_RNA) where: Base-Base interactions energy: -390.799 where: short stacking energy: -207.158 Base-Backbone interact. energy: -2.491 local terms energy: -350.799738 where: bonds (distance) C4'-P energy: -113.170 bonds (distance) P-C4' energy: -92.834 flat angles C4'-P-C4' energy: -83.570 flat angles P-C4'-P energy: -63.645 tors. eta vs tors. theta energy: 2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2676.389006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.389006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.389006 (E_RNA) where: Base-Base interactions energy: -1920.880 where: short stacking energy: -780.216 Base-Backbone interact. energy: 1.109 local terms energy: -756.618338 where: bonds (distance) C4'-P energy: -131.930 bonds (distance) P-C4' energy: -147.144 flat angles C4'-P-C4' energy: -156.590 flat angles P-C4'-P energy: -94.044 tors. eta vs tors. theta energy: -226.910 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: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2635.962102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.962102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.962102 (E_RNA) where: Base-Base interactions energy: -1874.341 where: short stacking energy: -755.746 Base-Backbone interact. energy: -4.274 local terms energy: -757.347107 where: bonds (distance) C4'-P energy: -130.139 bonds (distance) P-C4' energy: -138.507 flat angles C4'-P-C4' energy: -150.640 flat angles P-C4'-P energy: -116.097 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: 369 Temperature: 1.000000 Total energy: -2515.195385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.195385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.195385 (E_RNA) where: Base-Base interactions energy: -1776.041 where: short stacking energy: -747.907 Base-Backbone interact. energy: -2.031 local terms energy: -737.123137 where: bonds (distance) C4'-P energy: -129.277 bonds (distance) P-C4' energy: -123.735 flat angles C4'-P-C4' energy: -155.445 flat angles P-C4'-P energy: -98.030 tors. eta vs tors. theta energy: -230.637 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: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2471.030415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.030415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.030415 (E_RNA) where: Base-Base interactions energy: -1761.188 where: short stacking energy: -720.606 Base-Backbone interact. energy: -2.662 local terms energy: -707.179842 where: bonds (distance) C4'-P energy: -122.001 bonds (distance) P-C4' energy: -117.479 flat angles C4'-P-C4' energy: -137.281 flat angles P-C4'-P energy: -111.901 tors. eta vs tors. theta energy: -218.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2473.054224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.054224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.054224 (E_RNA) where: Base-Base interactions energy: -1767.473 where: short stacking energy: -728.783 Base-Backbone interact. energy: -1.534 local terms energy: -704.046961 where: bonds (distance) C4'-P energy: -106.559 bonds (distance) P-C4' energy: -117.246 flat angles C4'-P-C4' energy: -142.947 flat angles P-C4'-P energy: -108.491 tors. eta vs tors. theta energy: -228.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2332.466791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.466791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.466791 (E_RNA) where: Base-Base interactions energy: -1652.403 where: short stacking energy: -674.770 Base-Backbone interact. energy: -1.934 local terms energy: -678.129834 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -116.266 flat angles C4'-P-C4' energy: -151.920 flat angles P-C4'-P energy: -101.185 tors. eta vs tors. theta energy: -202.092 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: 369 Temperature: 1.200000 Total energy: -2172.496343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.496343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.496343 (E_RNA) where: Base-Base interactions energy: -1585.238 where: short stacking energy: -630.697 Base-Backbone interact. energy: 4.656 local terms energy: -591.914062 where: bonds (distance) C4'-P energy: -71.438 bonds (distance) P-C4' energy: -122.779 flat angles C4'-P-C4' energy: -128.256 flat angles P-C4'-P energy: -73.560 tors. eta vs tors. theta energy: -195.881 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: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2055.418187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.418187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.418187 (E_RNA) where: Base-Base interactions energy: -1453.922 where: short stacking energy: -588.089 Base-Backbone interact. energy: -1.436 local terms energy: -600.059886 where: bonds (distance) C4'-P energy: -105.009 bonds (distance) P-C4' energy: -90.791 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -89.021 tors. eta vs tors. theta energy: -176.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1919.978409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.978409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.978409 (E_RNA) where: Base-Base interactions energy: -1356.094 where: short stacking energy: -550.310 Base-Backbone interact. energy: -1.000 local terms energy: -562.883681 where: bonds (distance) C4'-P energy: -108.028 bonds (distance) P-C4' energy: -97.666 flat angles C4'-P-C4' energy: -128.528 flat angles P-C4'-P energy: -74.414 tors. eta vs tors. theta energy: -154.247 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: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -758.882904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.882904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.882904 (E_RNA) where: Base-Base interactions energy: -401.036 where: short stacking energy: -209.475 Base-Backbone interact. energy: 2.779 local terms energy: -360.625591 where: bonds (distance) C4'-P energy: -79.638 bonds (distance) P-C4' energy: -110.614 flat angles C4'-P-C4' energy: -103.828 flat angles P-C4'-P energy: -60.677 tors. eta vs tors. theta energy: -5.869 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: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2681.145059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.145059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.145059 (E_RNA) where: Base-Base interactions energy: -1925.214 where: short stacking energy: -764.592 Base-Backbone interact. energy: -0.487 local terms energy: -755.443392 where: bonds (distance) C4'-P energy: -125.210 bonds (distance) P-C4' energy: -140.375 flat angles C4'-P-C4' energy: -150.560 flat angles P-C4'-P energy: -100.616 tors. eta vs tors. theta energy: -238.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2639.601405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.601405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.601405 (E_RNA) where: Base-Base interactions energy: -1891.855 where: short stacking energy: -756.775 Base-Backbone interact. energy: -1.274 local terms energy: -746.471800 where: bonds (distance) C4'-P energy: -127.911 bonds (distance) P-C4' energy: -121.510 flat angles C4'-P-C4' energy: -164.010 flat angles P-C4'-P energy: -112.633 tors. eta vs tors. theta energy: -220.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2519.003007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.003007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.003007 (E_RNA) where: Base-Base interactions energy: -1799.169 where: short stacking energy: -756.888 Base-Backbone interact. energy: 0.084 local terms energy: -719.918540 where: bonds (distance) C4'-P energy: -111.046 bonds (distance) P-C4' energy: -124.167 flat angles C4'-P-C4' energy: -145.442 flat angles P-C4'-P energy: -112.220 tors. eta vs tors. theta energy: -227.043 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: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2464.581195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.581195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.581195 (E_RNA) where: Base-Base interactions energy: -1748.452 where: short stacking energy: -750.681 Base-Backbone interact. energy: -1.759 local terms energy: -714.370971 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -116.136 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -107.337 tors. eta vs tors. theta energy: -225.132 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: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2449.470335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.470335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.470335 (E_RNA) where: Base-Base interactions energy: -1753.381 where: short stacking energy: -693.428 Base-Backbone interact. energy: -0.025 local terms energy: -696.064154 where: bonds (distance) C4'-P energy: -118.285 bonds (distance) P-C4' energy: -122.573 flat angles C4'-P-C4' energy: -140.570 flat angles P-C4'-P energy: -92.974 tors. eta vs tors. theta energy: -221.662 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: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2326.832970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.832970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.832970 (E_RNA) where: Base-Base interactions energy: -1637.774 where: short stacking energy: -671.808 Base-Backbone interact. energy: -1.545 local terms energy: -687.514186 where: bonds (distance) C4'-P energy: -111.380 bonds (distance) P-C4' energy: -129.156 flat angles C4'-P-C4' energy: -147.223 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -210.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2247.800621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.800621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.800621 (E_RNA) where: Base-Base interactions energy: -1587.252 where: short stacking energy: -660.814 Base-Backbone interact. energy: 0.586 local terms energy: -661.134367 where: bonds (distance) C4'-P energy: -119.414 bonds (distance) P-C4' energy: -114.250 flat angles C4'-P-C4' energy: -134.641 flat angles P-C4'-P energy: -91.744 tors. eta vs tors. theta energy: -201.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -2077.620946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.620946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.620946 (E_RNA) where: Base-Base interactions energy: -1472.094 where: short stacking energy: -583.416 Base-Backbone interact. energy: -2.003 local terms energy: -603.523849 where: bonds (distance) C4'-P energy: -123.434 bonds (distance) P-C4' energy: -113.233 flat angles C4'-P-C4' energy: -118.767 flat angles P-C4'-P energy: -83.656 tors. eta vs tors. theta energy: -164.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1928.960110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.960110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.960110 (E_RNA) where: Base-Base interactions energy: -1338.169 where: short stacking energy: -549.478 Base-Backbone interact. energy: -3.489 local terms energy: -587.301985 where: bonds (distance) C4'-P energy: -118.722 bonds (distance) P-C4' energy: -116.296 flat angles C4'-P-C4' energy: -119.886 flat angles P-C4'-P energy: -89.983 tors. eta vs tors. theta energy: -142.415 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: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -791.100809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.100809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.100809 (E_RNA) where: Base-Base interactions energy: -398.348 where: short stacking energy: -209.357 Base-Backbone interact. energy: 0.402 local terms energy: -393.153907 where: bonds (distance) C4'-P energy: -97.735 bonds (distance) P-C4' energy: -113.324 flat angles C4'-P-C4' energy: -104.985 flat angles P-C4'-P energy: -62.454 tors. eta vs tors. theta energy: -14.656 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: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2664.379414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.379414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.379414 (E_RNA) where: Base-Base interactions energy: -1900.188 where: short stacking energy: -757.093 Base-Backbone interact. energy: -2.638 local terms energy: -761.553419 where: bonds (distance) C4'-P energy: -135.268 bonds (distance) P-C4' energy: -134.717 flat angles C4'-P-C4' energy: -164.203 flat angles P-C4'-P energy: -102.421 tors. eta vs tors. theta energy: -224.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2630.610132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.610132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.610132 (E_RNA) where: Base-Base interactions energy: -1894.141 where: short stacking energy: -746.371 Base-Backbone interact. energy: -0.931 local terms energy: -735.538108 where: bonds (distance) C4'-P energy: -127.055 bonds (distance) P-C4' energy: -128.081 flat angles C4'-P-C4' energy: -154.982 flat angles P-C4'-P energy: -108.054 tors. eta vs tors. theta energy: -217.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2571.662549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.662549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.662549 (E_RNA) where: Base-Base interactions energy: -1818.648 where: short stacking energy: -762.983 Base-Backbone interact. energy: -1.352 local terms energy: -751.662295 where: bonds (distance) C4'-P energy: -124.981 bonds (distance) P-C4' energy: -134.583 flat angles C4'-P-C4' energy: -150.281 flat angles P-C4'-P energy: -109.409 tors. eta vs tors. theta energy: -232.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2449.063087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.063087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.063087 (E_RNA) where: Base-Base interactions energy: -1715.948 where: short stacking energy: -717.973 Base-Backbone interact. energy: 0.541 local terms energy: -733.655452 where: bonds (distance) C4'-P energy: -127.187 bonds (distance) P-C4' energy: -131.421 flat angles C4'-P-C4' energy: -150.637 flat angles P-C4'-P energy: -106.806 tors. eta vs tors. theta energy: -217.605 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: 5, replica: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2458.928736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.928736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.928736 (E_RNA) where: Base-Base interactions energy: -1756.693 where: short stacking energy: -729.776 Base-Backbone interact. energy: 2.392 local terms energy: -704.628060 where: bonds (distance) C4'-P energy: -115.264 bonds (distance) P-C4' energy: -125.712 flat angles C4'-P-C4' energy: -142.707 flat angles P-C4'-P energy: -99.078 tors. eta vs tors. theta energy: -221.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2340.245014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.245014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.245014 (E_RNA) where: Base-Base interactions energy: -1642.036 where: short stacking energy: -657.475 Base-Backbone interact. energy: 0.027 local terms energy: -698.236244 where: bonds (distance) C4'-P energy: -118.694 bonds (distance) P-C4' energy: -125.863 flat angles C4'-P-C4' energy: -147.796 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -201.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2213.414988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.414988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.414988 (E_RNA) where: Base-Base interactions energy: -1584.364 where: short stacking energy: -660.664 Base-Backbone interact. energy: -0.664 local terms energy: -628.386514 where: bonds (distance) C4'-P energy: -100.738 bonds (distance) P-C4' energy: -112.645 flat angles C4'-P-C4' energy: -136.324 flat angles P-C4'-P energy: -91.400 tors. eta vs tors. theta energy: -187.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -2089.862951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.862951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.862951 (E_RNA) where: Base-Base interactions energy: -1499.100 where: short stacking energy: -612.565 Base-Backbone interact. energy: 0.115 local terms energy: -590.878271 where: bonds (distance) C4'-P energy: -116.548 bonds (distance) P-C4' energy: -99.416 flat angles C4'-P-C4' energy: -124.582 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -170.604 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: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -2009.479746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.479746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.479746 (E_RNA) where: Base-Base interactions energy: -1413.224 where: short stacking energy: -558.371 Base-Backbone interact. energy: 0.879 local terms energy: -597.133984 where: bonds (distance) C4'-P energy: -105.787 bonds (distance) P-C4' energy: -117.211 flat angles C4'-P-C4' energy: -133.778 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -154.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -764.539061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.539061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.539061 (E_RNA) where: Base-Base interactions energy: -401.566 where: short stacking energy: -230.061 Base-Backbone interact. energy: -1.969 local terms energy: -361.004650 where: bonds (distance) C4'-P energy: -101.753 bonds (distance) P-C4' energy: -108.621 flat angles C4'-P-C4' energy: -74.831 flat angles P-C4'-P energy: -65.483 tors. eta vs tors. theta energy: -10.317 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: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2651.705001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.705001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.705001 (E_RNA) where: Base-Base interactions energy: -1890.467 where: short stacking energy: -762.320 Base-Backbone interact. energy: 2.099 local terms energy: -763.336374 where: bonds (distance) C4'-P energy: -143.312 bonds (distance) P-C4' energy: -124.767 flat angles C4'-P-C4' energy: -148.608 flat angles P-C4'-P energy: -110.950 tors. eta vs tors. theta energy: -235.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2641.487564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.487564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.487564 (E_RNA) where: Base-Base interactions energy: -1900.316 where: short stacking energy: -768.254 Base-Backbone interact. energy: -2.099 local terms energy: -739.072310 where: bonds (distance) C4'-P energy: -123.165 bonds (distance) P-C4' energy: -114.402 flat angles C4'-P-C4' energy: -160.267 flat angles P-C4'-P energy: -118.098 tors. eta vs tors. theta energy: -223.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2545.047754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.047754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.047754 (E_RNA) where: Base-Base interactions energy: -1824.281 where: short stacking energy: -763.721 Base-Backbone interact. energy: -2.369 local terms energy: -718.397436 where: bonds (distance) C4'-P energy: -109.179 bonds (distance) P-C4' energy: -121.099 flat angles C4'-P-C4' energy: -154.228 flat angles P-C4'-P energy: -100.142 tors. eta vs tors. theta energy: -233.748 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: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2461.119107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.119107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.119107 (E_RNA) where: Base-Base interactions energy: -1734.305 where: short stacking energy: -746.689 Base-Backbone interact. energy: -2.104 local terms energy: -724.710329 where: bonds (distance) C4'-P energy: -116.381 bonds (distance) P-C4' energy: -121.009 flat angles C4'-P-C4' energy: -160.327 flat angles P-C4'-P energy: -96.055 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: 5, replica: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2435.623228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.623228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.623228 (E_RNA) where: Base-Base interactions energy: -1751.408 where: short stacking energy: -695.160 Base-Backbone interact. energy: -0.887 local terms energy: -683.327720 where: bonds (distance) C4'-P energy: -116.423 bonds (distance) P-C4' energy: -119.114 flat angles C4'-P-C4' energy: -136.604 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -211.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2302.990606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.990606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.990606 (E_RNA) where: Base-Base interactions energy: -1619.280 where: short stacking energy: -681.312 Base-Backbone interact. energy: -1.994 local terms energy: -681.716409 where: bonds (distance) C4'-P energy: -124.763 bonds (distance) P-C4' energy: -112.136 flat angles C4'-P-C4' energy: -137.595 flat angles P-C4'-P energy: -91.818 tors. eta vs tors. theta energy: -215.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2197.288628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.288628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.288628 (E_RNA) where: Base-Base interactions energy: -1574.497 where: short stacking energy: -645.825 Base-Backbone interact. energy: 0.139 local terms energy: -622.929965 where: bonds (distance) C4'-P energy: -77.301 bonds (distance) P-C4' energy: -121.277 flat angles C4'-P-C4' energy: -140.335 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -194.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -2115.204453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.204453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.204453 (E_RNA) where: Base-Base interactions energy: -1511.446 where: short stacking energy: -611.030 Base-Backbone interact. energy: 0.567 local terms energy: -604.325570 where: bonds (distance) C4'-P energy: -95.107 bonds (distance) P-C4' energy: -113.514 flat angles C4'-P-C4' energy: -138.559 flat angles P-C4'-P energy: -80.676 tors. eta vs tors. theta energy: -176.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1991.330653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.330653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.330653 (E_RNA) where: Base-Base interactions energy: -1404.706 where: short stacking energy: -575.456 Base-Backbone interact. energy: 2.180 local terms energy: -588.804544 where: bonds (distance) C4'-P energy: -89.766 bonds (distance) P-C4' energy: -117.128 flat angles C4'-P-C4' energy: -129.911 flat angles P-C4'-P energy: -86.388 tors. eta vs tors. theta energy: -165.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -738.042361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.042361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.042361 (E_RNA) where: Base-Base interactions energy: -363.481 where: short stacking energy: -210.720 Base-Backbone interact. energy: -0.261 local terms energy: -374.299764 where: bonds (distance) C4'-P energy: -107.933 bonds (distance) P-C4' energy: -119.495 flat angles C4'-P-C4' energy: -101.217 flat angles P-C4'-P energy: -49.321 tors. eta vs tors. theta energy: 3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2667.724423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.724423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.724423 (E_RNA) where: Base-Base interactions energy: -1863.753 where: short stacking energy: -742.284 Base-Backbone interact. energy: -3.889 local terms energy: -800.082069 where: bonds (distance) C4'-P energy: -148.298 bonds (distance) P-C4' energy: -145.358 flat angles C4'-P-C4' energy: -157.036 flat angles P-C4'-P energy: -110.748 tors. eta vs tors. theta energy: -238.642 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: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2627.743993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.743993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.743993 (E_RNA) where: Base-Base interactions energy: -1889.357 where: short stacking energy: -748.092 Base-Backbone interact. energy: 3.357 local terms energy: -741.744219 where: bonds (distance) C4'-P energy: -118.879 bonds (distance) P-C4' energy: -129.259 flat angles C4'-P-C4' energy: -152.258 flat angles P-C4'-P energy: -111.426 tors. eta vs tors. theta energy: -229.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2544.387150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.387150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.387150 (E_RNA) where: Base-Base interactions energy: -1820.962 where: short stacking energy: -750.136 Base-Backbone interact. energy: -1.889 local terms energy: -721.536069 where: bonds (distance) C4'-P energy: -117.182 bonds (distance) P-C4' energy: -128.253 flat angles C4'-P-C4' energy: -147.757 flat angles P-C4'-P energy: -102.985 tors. eta vs tors. theta energy: -225.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2471.323385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.323385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.323385 (E_RNA) where: Base-Base interactions energy: -1751.620 where: short stacking energy: -719.538 Base-Backbone interact. energy: -1.677 local terms energy: -718.025666 where: bonds (distance) C4'-P energy: -104.602 bonds (distance) P-C4' energy: -126.654 flat angles C4'-P-C4' energy: -164.512 flat angles P-C4'-P energy: -99.789 tors. eta vs tors. theta energy: -222.469 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: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2452.446881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.446881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.446881 (E_RNA) where: Base-Base interactions energy: -1752.467 where: short stacking energy: -727.427 Base-Backbone interact. energy: -2.125 local terms energy: -697.855297 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -114.973 flat angles C4'-P-C4' energy: -147.823 flat angles P-C4'-P energy: -93.896 tors. eta vs tors. theta energy: -220.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2328.712949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.712949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.712949 (E_RNA) where: Base-Base interactions energy: -1667.469 where: short stacking energy: -687.498 Base-Backbone interact. energy: -0.739 local terms energy: -660.504953 where: bonds (distance) C4'-P energy: -115.630 bonds (distance) P-C4' energy: -103.509 flat angles C4'-P-C4' energy: -143.346 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -213.129 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: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2215.663779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.663779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.663779 (E_RNA) where: Base-Base interactions energy: -1560.885 where: short stacking energy: -645.608 Base-Backbone interact. energy: -2.307 local terms energy: -652.471516 where: bonds (distance) C4'-P energy: -112.137 bonds (distance) P-C4' energy: -104.512 flat angles C4'-P-C4' energy: -149.360 flat angles P-C4'-P energy: -86.011 tors. eta vs tors. theta energy: -200.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -2133.838367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.838367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.838367 (E_RNA) where: Base-Base interactions energy: -1514.486 where: short stacking energy: -628.250 Base-Backbone interact. energy: 0.862 local terms energy: -620.214812 where: bonds (distance) C4'-P energy: -105.787 bonds (distance) P-C4' energy: -113.985 flat angles C4'-P-C4' energy: -132.898 flat angles P-C4'-P energy: -76.679 tors. eta vs tors. theta energy: -190.865 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: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -2043.645407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.645407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.645407 (E_RNA) where: Base-Base interactions energy: -1473.972 where: short stacking energy: -593.934 Base-Backbone interact. energy: 0.934 local terms energy: -570.607333 where: bonds (distance) C4'-P energy: -113.371 bonds (distance) P-C4' energy: -77.873 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -177.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -702.875891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.875891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.875891 (E_RNA) where: Base-Base interactions energy: -338.639 where: short stacking energy: -200.079 Base-Backbone interact. energy: 1.702 local terms energy: -365.938324 where: bonds (distance) C4'-P energy: -101.542 bonds (distance) P-C4' energy: -129.568 flat angles C4'-P-C4' energy: -100.055 flat angles P-C4'-P energy: -44.337 tors. eta vs tors. theta energy: 9.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2648.313330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.313330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.313330 (E_RNA) where: Base-Base interactions energy: -1878.670 where: short stacking energy: -741.953 Base-Backbone interact. energy: -3.849 local terms energy: -765.794399 where: bonds (distance) C4'-P energy: -133.110 bonds (distance) P-C4' energy: -139.892 flat angles C4'-P-C4' energy: -152.382 flat angles P-C4'-P energy: -109.279 tors. eta vs tors. theta energy: -231.131 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: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2625.924006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.924006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.924006 (E_RNA) where: Base-Base interactions energy: -1891.284 where: short stacking energy: -762.083 Base-Backbone interact. energy: -1.813 local terms energy: -732.827599 where: bonds (distance) C4'-P energy: -119.668 bonds (distance) P-C4' energy: -125.931 flat angles C4'-P-C4' energy: -160.663 flat angles P-C4'-P energy: -110.148 tors. eta vs tors. theta energy: -216.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2566.572583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.572583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.572583 (E_RNA) where: Base-Base interactions energy: -1825.346 where: short stacking energy: -767.855 Base-Backbone interact. energy: -2.422 local terms energy: -738.803723 where: bonds (distance) C4'-P energy: -122.480 bonds (distance) P-C4' energy: -117.895 flat angles C4'-P-C4' energy: -157.574 flat angles P-C4'-P energy: -105.223 tors. eta vs tors. theta energy: -235.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2470.447868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.447868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.447868 (E_RNA) where: Base-Base interactions energy: -1739.946 where: short stacking energy: -716.428 Base-Backbone interact. energy: 0.311 local terms energy: -730.812895 where: bonds (distance) C4'-P energy: -131.106 bonds (distance) P-C4' energy: -126.799 flat angles C4'-P-C4' energy: -146.931 flat angles P-C4'-P energy: -93.472 tors. eta vs tors. theta energy: -232.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2446.195458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.195458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.195458 (E_RNA) where: Base-Base interactions energy: -1769.039 where: short stacking energy: -722.783 Base-Backbone interact. energy: -0.047 local terms energy: -677.110029 where: bonds (distance) C4'-P energy: -118.508 bonds (distance) P-C4' energy: -113.348 flat angles C4'-P-C4' energy: -144.261 flat angles P-C4'-P energy: -86.830 tors. eta vs tors. theta energy: -214.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2316.010208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.010208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.010208 (E_RNA) where: Base-Base interactions energy: -1645.939 where: short stacking energy: -678.923 Base-Backbone interact. energy: 0.849 local terms energy: -670.919898 where: bonds (distance) C4'-P energy: -120.775 bonds (distance) P-C4' energy: -108.338 flat angles C4'-P-C4' energy: -144.562 flat angles P-C4'-P energy: -89.835 tors. eta vs tors. theta energy: -207.410 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: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2235.996913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.996913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.996913 (E_RNA) where: Base-Base interactions energy: -1596.843 where: short stacking energy: -651.045 Base-Backbone interact. energy: -2.072 local terms energy: -637.082004 where: bonds (distance) C4'-P energy: -108.762 bonds (distance) P-C4' energy: -106.538 flat angles C4'-P-C4' energy: -142.451 flat angles P-C4'-P energy: -90.218 tors. eta vs tors. theta energy: -189.112 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: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -2120.783796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.783796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.783796 (E_RNA) where: Base-Base interactions energy: -1520.589 where: short stacking energy: -607.071 Base-Backbone interact. energy: -2.262 local terms energy: -597.933570 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -109.585 flat angles C4'-P-C4' energy: -128.602 flat angles P-C4'-P energy: -73.464 tors. eta vs tors. theta energy: -177.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -2041.572712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.572712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.572712 (E_RNA) where: Base-Base interactions energy: -1421.258 where: short stacking energy: -576.820 Base-Backbone interact. energy: -2.696 local terms energy: -617.618543 where: bonds (distance) C4'-P energy: -110.082 bonds (distance) P-C4' energy: -122.722 flat angles C4'-P-C4' energy: -128.163 flat angles P-C4'-P energy: -82.092 tors. eta vs tors. theta energy: -174.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -648.865756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.865756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.865756 (E_RNA) where: Base-Base interactions energy: -330.085 where: short stacking energy: -184.970 Base-Backbone interact. energy: 2.494 local terms energy: -321.274831 where: bonds (distance) C4'-P energy: -104.199 bonds (distance) P-C4' energy: -114.993 flat angles C4'-P-C4' energy: -88.527 flat angles P-C4'-P energy: -37.377 tors. eta vs tors. theta energy: 23.821 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: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2650.076803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.076803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.076803 (E_RNA) where: Base-Base interactions energy: -1880.298 where: short stacking energy: -767.052 Base-Backbone interact. energy: -3.183 local terms energy: -766.595891 where: bonds (distance) C4'-P energy: -123.813 bonds (distance) P-C4' energy: -145.495 flat angles C4'-P-C4' energy: -157.810 flat angles P-C4'-P energy: -104.827 tors. eta vs tors. theta energy: -234.651 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: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2641.119957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.119957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.119957 (E_RNA) where: Base-Base interactions energy: -1893.733 where: short stacking energy: -770.059 Base-Backbone interact. energy: -1.583 local terms energy: -745.803927 where: bonds (distance) C4'-P energy: -127.034 bonds (distance) P-C4' energy: -117.818 flat angles C4'-P-C4' energy: -154.163 flat angles P-C4'-P energy: -117.407 tors. eta vs tors. theta energy: -229.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2529.647797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.647797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.647797 (E_RNA) where: Base-Base interactions energy: -1792.261 where: short stacking energy: -740.172 Base-Backbone interact. energy: -2.772 local terms energy: -734.614635 where: bonds (distance) C4'-P energy: -129.403 bonds (distance) P-C4' energy: -121.402 flat angles C4'-P-C4' energy: -151.435 flat angles P-C4'-P energy: -98.964 tors. eta vs tors. theta energy: -233.410 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: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2477.025987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.025987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.025987 (E_RNA) where: Base-Base interactions energy: -1739.244 where: short stacking energy: -731.592 Base-Backbone interact. energy: -1.875 local terms energy: -735.906575 where: bonds (distance) C4'-P energy: -134.001 bonds (distance) P-C4' energy: -113.361 flat angles C4'-P-C4' energy: -153.786 flat angles P-C4'-P energy: -106.591 tors. eta vs tors. theta energy: -228.168 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: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2424.126274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.126274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.126274 (E_RNA) where: Base-Base interactions energy: -1732.718 where: short stacking energy: -698.658 Base-Backbone interact. energy: 2.043 local terms energy: -693.451289 where: bonds (distance) C4'-P energy: -128.306 bonds (distance) P-C4' energy: -115.181 flat angles C4'-P-C4' energy: -144.483 flat angles P-C4'-P energy: -95.074 tors. eta vs tors. theta energy: -210.408 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: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2337.415295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.415295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.415295 (E_RNA) where: Base-Base interactions energy: -1661.460 where: short stacking energy: -694.849 Base-Backbone interact. energy: -2.039 local terms energy: -673.916253 where: bonds (distance) C4'-P energy: -109.334 bonds (distance) P-C4' energy: -122.255 flat angles C4'-P-C4' energy: -133.529 flat angles P-C4'-P energy: -90.309 tors. eta vs tors. theta energy: -218.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2260.345060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.345060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.345060 (E_RNA) where: Base-Base interactions energy: -1603.567 where: short stacking energy: -652.774 Base-Backbone interact. energy: 0.677 local terms energy: -657.454689 where: bonds (distance) C4'-P energy: -120.629 bonds (distance) P-C4' energy: -107.044 flat angles C4'-P-C4' energy: -137.983 flat angles P-C4'-P energy: -93.682 tors. eta vs tors. theta energy: -198.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -2092.412688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.412688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.412688 (E_RNA) where: Base-Base interactions energy: -1490.275 where: short stacking energy: -622.957 Base-Backbone interact. energy: -0.518 local terms energy: -601.619281 where: bonds (distance) C4'-P energy: -111.257 bonds (distance) P-C4' energy: -95.606 flat angles C4'-P-C4' energy: -130.155 flat angles P-C4'-P energy: -81.032 tors. eta vs tors. theta energy: -183.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1991.482860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.482860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.482860 (E_RNA) where: Base-Base interactions energy: -1411.165 where: short stacking energy: -560.842 Base-Backbone interact. energy: 0.509 local terms energy: -580.827210 where: bonds (distance) C4'-P energy: -115.164 bonds (distance) P-C4' energy: -104.224 flat angles C4'-P-C4' energy: -124.120 flat angles P-C4'-P energy: -80.372 tors. eta vs tors. theta energy: -156.947 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: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -690.175420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.175420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.175420 (E_RNA) where: Base-Base interactions energy: -324.212 where: short stacking energy: -190.207 Base-Backbone interact. energy: -1.995 local terms energy: -363.968305 where: bonds (distance) C4'-P energy: -112.279 bonds (distance) P-C4' energy: -111.931 flat angles C4'-P-C4' energy: -92.660 flat angles P-C4'-P energy: -52.117 tors. eta vs tors. theta energy: 5.018 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: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2679.635057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.635057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.635057 (E_RNA) where: Base-Base interactions energy: -1906.541 where: short stacking energy: -768.969 Base-Backbone interact. energy: -3.659 local terms energy: -769.434912 where: bonds (distance) C4'-P energy: -132.159 bonds (distance) P-C4' energy: -121.922 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -121.720 tors. eta vs tors. theta energy: -231.340 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: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2629.723606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.723606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.723606 (E_RNA) where: Base-Base interactions energy: -1846.908 where: short stacking energy: -743.483 Base-Backbone interact. energy: -2.508 local terms energy: -780.308065 where: bonds (distance) C4'-P energy: -142.865 bonds (distance) P-C4' energy: -140.168 flat angles C4'-P-C4' energy: -161.442 flat angles P-C4'-P energy: -102.436 tors. eta vs tors. theta energy: -233.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2530.709323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.709323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.709323 (E_RNA) where: Base-Base interactions energy: -1790.057 where: short stacking energy: -747.402 Base-Backbone interact. energy: -0.511 local terms energy: -740.141377 where: bonds (distance) C4'-P energy: -131.142 bonds (distance) P-C4' energy: -124.457 flat angles C4'-P-C4' energy: -156.505 flat angles P-C4'-P energy: -100.287 tors. eta vs tors. theta energy: -227.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2458.624335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.624335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.624335 (E_RNA) where: Base-Base interactions energy: -1764.534 where: short stacking energy: -723.597 Base-Backbone interact. energy: -0.495 local terms energy: -693.595542 where: bonds (distance) C4'-P energy: -92.291 bonds (distance) P-C4' energy: -119.233 flat angles C4'-P-C4' energy: -157.833 flat angles P-C4'-P energy: -100.783 tors. eta vs tors. theta energy: -223.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2400.746512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.746512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.746512 (E_RNA) where: Base-Base interactions energy: -1723.576 where: short stacking energy: -694.359 Base-Backbone interact. energy: -2.619 local terms energy: -674.551290 where: bonds (distance) C4'-P energy: -105.211 bonds (distance) P-C4' energy: -113.321 flat angles C4'-P-C4' energy: -147.422 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -219.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2346.164596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.164596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.164596 (E_RNA) where: Base-Base interactions energy: -1669.340 where: short stacking energy: -658.914 Base-Backbone interact. energy: -0.230 local terms energy: -676.594003 where: bonds (distance) C4'-P energy: -101.207 bonds (distance) P-C4' energy: -116.335 flat angles C4'-P-C4' energy: -141.988 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -219.919 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: 376 Temperature: 1.200000 Total energy: -2263.959352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.959352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.959352 (E_RNA) where: Base-Base interactions energy: -1620.576 where: short stacking energy: -668.488 Base-Backbone interact. energy: -0.612 local terms energy: -642.771348 where: bonds (distance) C4'-P energy: -110.484 bonds (distance) P-C4' energy: -103.524 flat angles C4'-P-C4' energy: -133.133 flat angles P-C4'-P energy: -84.854 tors. eta vs tors. theta energy: -210.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2105.250587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.250587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.250587 (E_RNA) where: Base-Base interactions energy: -1500.065 where: short stacking energy: -608.216 Base-Backbone interact. energy: 2.110 local terms energy: -607.295708 where: bonds (distance) C4'-P energy: -98.609 bonds (distance) P-C4' energy: -104.771 flat angles C4'-P-C4' energy: -138.130 flat angles P-C4'-P energy: -79.442 tors. eta vs tors. theta energy: -186.345 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: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -2035.346298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.346298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.346298 (E_RNA) where: Base-Base interactions energy: -1430.268 where: short stacking energy: -577.265 Base-Backbone interact. energy: -0.055 local terms energy: -605.023499 where: bonds (distance) C4'-P energy: -113.633 bonds (distance) P-C4' energy: -96.637 flat angles C4'-P-C4' energy: -140.795 flat angles P-C4'-P energy: -86.127 tors. eta vs tors. theta energy: -167.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -662.119953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.119953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.119953 (E_RNA) where: Base-Base interactions energy: -323.383 where: short stacking energy: -188.588 Base-Backbone interact. energy: 6.563 local terms energy: -345.300316 where: bonds (distance) C4'-P energy: -111.498 bonds (distance) P-C4' energy: -102.068 flat angles C4'-P-C4' energy: -101.415 flat angles P-C4'-P energy: -49.140 tors. eta vs tors. theta energy: 18.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2669.098532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.098532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.098532 (E_RNA) where: Base-Base interactions energy: -1894.984 where: short stacking energy: -761.430 Base-Backbone interact. energy: -4.675 local terms energy: -769.439028 where: bonds (distance) C4'-P energy: -131.765 bonds (distance) P-C4' energy: -148.117 flat angles C4'-P-C4' energy: -162.469 flat angles P-C4'-P energy: -101.247 tors. eta vs tors. theta energy: -225.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2604.952956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.952956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.952956 (E_RNA) where: Base-Base interactions energy: -1851.654 where: short stacking energy: -756.075 Base-Backbone interact. energy: 1.259 local terms energy: -754.557789 where: bonds (distance) C4'-P energy: -132.285 bonds (distance) P-C4' energy: -131.868 flat angles C4'-P-C4' energy: -153.780 flat angles P-C4'-P energy: -107.029 tors. eta vs tors. theta energy: -229.596 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: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2547.230532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.230532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.230532 (E_RNA) where: Base-Base interactions energy: -1814.587 where: short stacking energy: -757.574 Base-Backbone interact. energy: -2.333 local terms energy: -730.310312 where: bonds (distance) C4'-P energy: -117.976 bonds (distance) P-C4' energy: -114.378 flat angles C4'-P-C4' energy: -165.644 flat angles P-C4'-P energy: -104.719 tors. eta vs tors. theta energy: -227.594 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: 4, replica: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2437.315242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.315242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.315242 (E_RNA) where: Base-Base interactions energy: -1700.509 where: short stacking energy: -717.410 Base-Backbone interact. energy: -1.360 local terms energy: -735.445844 where: bonds (distance) C4'-P energy: -123.461 bonds (distance) P-C4' energy: -137.610 flat angles C4'-P-C4' energy: -154.782 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -219.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2391.985761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.985761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.985761 (E_RNA) where: Base-Base interactions energy: -1681.050 where: short stacking energy: -696.991 Base-Backbone interact. energy: -0.651 local terms energy: -710.283956 where: bonds (distance) C4'-P energy: -117.193 bonds (distance) P-C4' energy: -132.573 flat angles C4'-P-C4' energy: -135.839 flat angles P-C4'-P energy: -102.246 tors. eta vs tors. theta energy: -222.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2325.541113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.541113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.541113 (E_RNA) where: Base-Base interactions energy: -1661.434 where: short stacking energy: -678.426 Base-Backbone interact. energy: -0.568 local terms energy: -663.539033 where: bonds (distance) C4'-P energy: -106.435 bonds (distance) P-C4' energy: -119.579 flat angles C4'-P-C4' energy: -137.992 flat angles P-C4'-P energy: -80.928 tors. eta vs tors. theta energy: -218.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2315.845147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.845147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.845147 (E_RNA) where: Base-Base interactions energy: -1646.650 where: short stacking energy: -672.117 Base-Backbone interact. energy: -0.008 local terms energy: -669.186486 where: bonds (distance) C4'-P energy: -99.606 bonds (distance) P-C4' energy: -116.223 flat angles C4'-P-C4' energy: -142.807 flat angles P-C4'-P energy: -91.894 tors. eta vs tors. theta energy: -218.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2142.165665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.165665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.165665 (E_RNA) where: Base-Base interactions energy: -1518.300 where: short stacking energy: -617.955 Base-Backbone interact. energy: -0.305 local terms energy: -623.560570 where: bonds (distance) C4'-P energy: -108.969 bonds (distance) P-C4' energy: -111.231 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -90.572 tors. eta vs tors. theta energy: -197.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -2074.259197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.259197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.259197 (E_RNA) where: Base-Base interactions energy: -1500.080 where: short stacking energy: -596.245 Base-Backbone interact. energy: -2.177 local terms energy: -572.002447 where: bonds (distance) C4'-P energy: -81.605 bonds (distance) P-C4' energy: -103.845 flat angles C4'-P-C4' energy: -135.339 flat angles P-C4'-P energy: -82.703 tors. eta vs tors. theta energy: -168.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -645.337311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.337311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.337311 (E_RNA) where: Base-Base interactions energy: -318.605 where: short stacking energy: -187.905 Base-Backbone interact. energy: 1.204 local terms energy: -327.937150 where: bonds (distance) C4'-P energy: -117.071 bonds (distance) P-C4' energy: -102.535 flat angles C4'-P-C4' energy: -78.890 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: 20.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2675.845716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.845716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.845716 (E_RNA) where: Base-Base interactions energy: -1918.092 where: short stacking energy: -774.044 Base-Backbone interact. energy: -2.251 local terms energy: -755.502659 where: bonds (distance) C4'-P energy: -120.838 bonds (distance) P-C4' energy: -132.595 flat angles C4'-P-C4' energy: -161.159 flat angles P-C4'-P energy: -112.528 tors. eta vs tors. theta energy: -228.382 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: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2601.987802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.987802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.987802 (E_RNA) where: Base-Base interactions energy: -1844.531 where: short stacking energy: -734.298 Base-Backbone interact. energy: -2.635 local terms energy: -754.821699 where: bonds (distance) C4'-P energy: -131.010 bonds (distance) P-C4' energy: -131.185 flat angles C4'-P-C4' energy: -162.776 flat angles P-C4'-P energy: -102.843 tors. eta vs tors. theta energy: -227.007 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: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2494.110602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.110602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.110602 (E_RNA) where: Base-Base interactions energy: -1764.352 where: short stacking energy: -740.123 Base-Backbone interact. energy: -1.414 local terms energy: -728.343900 where: bonds (distance) C4'-P energy: -125.054 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -152.642 flat angles P-C4'-P energy: -109.790 tors. eta vs tors. theta energy: -231.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2499.939613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.939613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.939613 (E_RNA) where: Base-Base interactions energy: -1778.065 where: short stacking energy: -743.048 Base-Backbone interact. energy: 1.239 local terms energy: -723.113949 where: bonds (distance) C4'-P energy: -127.797 bonds (distance) P-C4' energy: -128.003 flat angles C4'-P-C4' energy: -148.293 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -225.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2347.252054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.252054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.252054 (E_RNA) where: Base-Base interactions energy: -1661.437 where: short stacking energy: -662.981 Base-Backbone interact. energy: -3.276 local terms energy: -682.539081 where: bonds (distance) C4'-P energy: -120.179 bonds (distance) P-C4' energy: -121.892 flat angles C4'-P-C4' energy: -133.401 flat angles P-C4'-P energy: -95.871 tors. eta vs tors. theta energy: -211.197 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: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2315.397567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.397567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.397567 (E_RNA) where: Base-Base interactions energy: -1636.140 where: short stacking energy: -661.504 Base-Backbone interact. energy: -1.335 local terms energy: -677.922532 where: bonds (distance) C4'-P energy: -112.179 bonds (distance) P-C4' energy: -118.365 flat angles C4'-P-C4' energy: -145.725 flat angles P-C4'-P energy: -92.401 tors. eta vs tors. theta energy: -209.252 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: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2311.540227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.540227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.540227 (E_RNA) where: Base-Base interactions energy: -1670.085 where: short stacking energy: -678.482 Base-Backbone interact. energy: -2.710 local terms energy: -638.745215 where: bonds (distance) C4'-P energy: -119.881 bonds (distance) P-C4' energy: -103.062 flat angles C4'-P-C4' energy: -124.755 flat angles P-C4'-P energy: -78.487 tors. eta vs tors. theta energy: -212.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -2102.286116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.286116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.286116 (E_RNA) where: Base-Base interactions energy: -1520.663 where: short stacking energy: -609.377 Base-Backbone interact. energy: -0.485 local terms energy: -581.138411 where: bonds (distance) C4'-P energy: -93.067 bonds (distance) P-C4' energy: -88.767 flat angles C4'-P-C4' energy: -132.453 flat angles P-C4'-P energy: -84.782 tors. eta vs tors. theta energy: -182.069 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: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -2069.759847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.759847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.759847 (E_RNA) where: Base-Base interactions energy: -1518.907 where: short stacking energy: -577.935 Base-Backbone interact. energy: 0.104 local terms energy: -550.956657 where: bonds (distance) C4'-P energy: -87.291 bonds (distance) P-C4' energy: -74.611 flat angles C4'-P-C4' energy: -131.939 flat angles P-C4'-P energy: -86.748 tors. eta vs tors. theta energy: -170.367 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: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -620.565862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.565862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.565862 (E_RNA) where: Base-Base interactions energy: -284.203 where: short stacking energy: -162.633 Base-Backbone interact. energy: -0.831 local terms energy: -335.532052 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -102.890 flat angles C4'-P-C4' energy: -100.670 flat angles P-C4'-P energy: -52.646 tors. eta vs tors. theta energy: 22.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2716.816841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.816841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.816841 (E_RNA) where: Base-Base interactions energy: -1926.658 where: short stacking energy: -769.582 Base-Backbone interact. energy: 4.768 local terms energy: -794.927172 where: bonds (distance) C4'-P energy: -144.080 bonds (distance) P-C4' energy: -147.096 flat angles C4'-P-C4' energy: -156.618 flat angles P-C4'-P energy: -112.722 tors. eta vs tors. theta energy: -234.411 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: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2616.370685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.370685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.370685 (E_RNA) where: Base-Base interactions energy: -1891.963 where: short stacking energy: -766.274 Base-Backbone interact. energy: -0.608 local terms energy: -723.800164 where: bonds (distance) C4'-P energy: -132.042 bonds (distance) P-C4' energy: -120.282 flat angles C4'-P-C4' energy: -144.528 flat angles P-C4'-P energy: -100.843 tors. eta vs tors. theta energy: -226.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2482.274891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.274891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.274891 (E_RNA) where: Base-Base interactions energy: -1754.846 where: short stacking energy: -727.562 Base-Backbone interact. energy: -1.832 local terms energy: -725.596864 where: bonds (distance) C4'-P energy: -118.403 bonds (distance) P-C4' energy: -130.920 flat angles C4'-P-C4' energy: -158.961 flat angles P-C4'-P energy: -91.315 tors. eta vs tors. theta energy: -225.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2514.412927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.412927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.412927 (E_RNA) where: Base-Base interactions energy: -1791.280 where: short stacking energy: -746.264 Base-Backbone interact. energy: -1.274 local terms energy: -721.858866 where: bonds (distance) C4'-P energy: -103.299 bonds (distance) P-C4' energy: -125.302 flat angles C4'-P-C4' energy: -159.934 flat angles P-C4'-P energy: -105.997 tors. eta vs tors. theta energy: -227.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2396.951567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.951567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.951567 (E_RNA) where: Base-Base interactions energy: -1732.144 where: short stacking energy: -673.720 Base-Backbone interact. energy: -1.676 local terms energy: -663.131698 where: bonds (distance) C4'-P energy: -114.916 bonds (distance) P-C4' energy: -112.155 flat angles C4'-P-C4' energy: -136.533 flat angles P-C4'-P energy: -85.496 tors. eta vs tors. theta energy: -214.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2283.322818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.322818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.322818 (E_RNA) where: Base-Base interactions energy: -1578.644 where: short stacking energy: -647.919 Base-Backbone interact. energy: -2.874 local terms energy: -701.804394 where: bonds (distance) C4'-P energy: -138.646 bonds (distance) P-C4' energy: -125.569 flat angles C4'-P-C4' energy: -144.506 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -208.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2281.578492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.578492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.578492 (E_RNA) where: Base-Base interactions energy: -1622.612 where: short stacking energy: -635.408 Base-Backbone interact. energy: 3.802 local terms energy: -662.768564 where: bonds (distance) C4'-P energy: -110.792 bonds (distance) P-C4' energy: -115.513 flat angles C4'-P-C4' energy: -140.420 flat angles P-C4'-P energy: -79.449 tors. eta vs tors. theta energy: -216.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2110.901828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.901828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.901828 (E_RNA) where: Base-Base interactions energy: -1496.443 where: short stacking energy: -597.755 Base-Backbone interact. energy: -1.626 local terms energy: -612.832451 where: bonds (distance) C4'-P energy: -115.354 bonds (distance) P-C4' energy: -105.403 flat angles C4'-P-C4' energy: -138.735 flat angles P-C4'-P energy: -76.233 tors. eta vs tors. theta energy: -177.108 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: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -2060.568315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.568315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.568315 (E_RNA) where: Base-Base interactions energy: -1494.415 where: short stacking energy: -604.733 Base-Backbone interact. energy: 0.616 local terms energy: -566.768559 where: bonds (distance) C4'-P energy: -86.647 bonds (distance) P-C4' energy: -104.118 flat angles C4'-P-C4' energy: -127.176 flat angles P-C4'-P energy: -76.245 tors. eta vs tors. theta energy: -172.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -586.169642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.169642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.169642 (E_RNA) where: Base-Base interactions energy: -241.848 where: short stacking energy: -148.756 Base-Backbone interact. energy: 4.323 local terms energy: -348.645029 where: bonds (distance) C4'-P energy: -98.541 bonds (distance) P-C4' energy: -127.628 flat angles C4'-P-C4' energy: -105.281 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: 31.917 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2683.969093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.969093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.969093 (E_RNA) where: Base-Base interactions energy: -1909.918 where: short stacking energy: -773.755 Base-Backbone interact. energy: -1.662 local terms energy: -772.389119 where: bonds (distance) C4'-P energy: -135.517 bonds (distance) P-C4' energy: -133.402 flat angles C4'-P-C4' energy: -154.423 flat angles P-C4'-P energy: -116.485 tors. eta vs tors. theta energy: -232.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2604.485307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.485307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.485307 (E_RNA) where: Base-Base interactions energy: -1868.548 where: short stacking energy: -741.915 Base-Backbone interact. energy: -1.816 local terms energy: -734.121386 where: bonds (distance) C4'-P energy: -116.665 bonds (distance) P-C4' energy: -132.154 flat angles C4'-P-C4' energy: -151.360 flat angles P-C4'-P energy: -106.907 tors. eta vs tors. theta energy: -227.036 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: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2498.440860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.440860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.440860 (E_RNA) where: Base-Base interactions energy: -1769.048 where: short stacking energy: -764.583 Base-Backbone interact. energy: -0.640 local terms energy: -728.752794 where: bonds (distance) C4'-P energy: -120.677 bonds (distance) P-C4' energy: -123.146 flat angles C4'-P-C4' energy: -141.603 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -230.904 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: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2479.986335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.986335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.986335 (E_RNA) where: Base-Base interactions energy: -1757.620 where: short stacking energy: -732.708 Base-Backbone interact. energy: -1.163 local terms energy: -721.203260 where: bonds (distance) C4'-P energy: -126.390 bonds (distance) P-C4' energy: -106.488 flat angles C4'-P-C4' energy: -161.337 flat angles P-C4'-P energy: -93.957 tors. eta vs tors. theta energy: -233.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2385.616750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.616750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.616750 (E_RNA) where: Base-Base interactions energy: -1711.299 where: short stacking energy: -702.850 Base-Backbone interact. energy: -1.819 local terms energy: -672.498082 where: bonds (distance) C4'-P energy: -91.258 bonds (distance) P-C4' energy: -122.533 flat angles C4'-P-C4' energy: -146.888 flat angles P-C4'-P energy: -88.115 tors. eta vs tors. theta energy: -223.703 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: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2301.317155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.317155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.317155 (E_RNA) where: Base-Base interactions energy: -1623.396 where: short stacking energy: -661.435 Base-Backbone interact. energy: -1.739 local terms energy: -676.182049 where: bonds (distance) C4'-P energy: -113.016 bonds (distance) P-C4' energy: -140.839 flat angles C4'-P-C4' energy: -134.596 flat angles P-C4'-P energy: -81.738 tors. eta vs tors. theta energy: -205.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2272.686073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.686073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.686073 (E_RNA) where: Base-Base interactions energy: -1619.632 where: short stacking energy: -656.904 Base-Backbone interact. energy: 1.114 local terms energy: -654.168178 where: bonds (distance) C4'-P energy: -117.996 bonds (distance) P-C4' energy: -112.779 flat angles C4'-P-C4' energy: -124.039 flat angles P-C4'-P energy: -102.916 tors. eta vs tors. theta energy: -196.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2168.986721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.986721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.986721 (E_RNA) where: Base-Base interactions energy: -1559.770 where: short stacking energy: -646.704 Base-Backbone interact. energy: 0.669 local terms energy: -609.886009 where: bonds (distance) C4'-P energy: -112.797 bonds (distance) P-C4' energy: -103.435 flat angles C4'-P-C4' energy: -128.950 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -191.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -2040.028249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.028249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.028249 (E_RNA) where: Base-Base interactions energy: -1440.469 where: short stacking energy: -575.083 Base-Backbone interact. energy: -1.139 local terms energy: -598.420987 where: bonds (distance) C4'-P energy: -124.602 bonds (distance) P-C4' energy: -95.631 flat angles C4'-P-C4' energy: -130.286 flat angles P-C4'-P energy: -79.274 tors. eta vs tors. theta energy: -168.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -598.872828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.872828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.872828 (E_RNA) where: Base-Base interactions energy: -255.421 where: short stacking energy: -151.315 Base-Backbone interact. energy: 2.433 local terms energy: -345.884794 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -118.279 flat angles C4'-P-C4' energy: -90.734 flat angles P-C4'-P energy: -31.926 tors. eta vs tors. theta energy: 10.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2688.526046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.526046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.526046 (E_RNA) where: Base-Base interactions energy: -1933.009 where: short stacking energy: -764.684 Base-Backbone interact. energy: 1.868 local terms energy: -757.385057 where: bonds (distance) C4'-P energy: -122.238 bonds (distance) P-C4' energy: -131.286 flat angles C4'-P-C4' energy: -157.843 flat angles P-C4'-P energy: -116.046 tors. eta vs tors. theta energy: -229.972 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: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2623.844271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.844271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.844271 (E_RNA) where: Base-Base interactions energy: -1871.447 where: short stacking energy: -761.724 Base-Backbone interact. energy: -0.594 local terms energy: -751.802781 where: bonds (distance) C4'-P energy: -134.193 bonds (distance) P-C4' energy: -131.335 flat angles C4'-P-C4' energy: -153.282 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -235.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2518.666017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.666017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.666017 (E_RNA) where: Base-Base interactions energy: -1757.901 where: short stacking energy: -721.760 Base-Backbone interact. energy: -0.854 local terms energy: -759.911329 where: bonds (distance) C4'-P energy: -120.692 bonds (distance) P-C4' energy: -130.274 flat angles C4'-P-C4' energy: -155.990 flat angles P-C4'-P energy: -122.202 tors. eta vs tors. theta energy: -230.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2539.332117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.332117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.332117 (E_RNA) where: Base-Base interactions energy: -1799.713 where: short stacking energy: -761.803 Base-Backbone interact. energy: -2.359 local terms energy: -737.260393 where: bonds (distance) C4'-P energy: -117.240 bonds (distance) P-C4' energy: -124.514 flat angles C4'-P-C4' energy: -153.753 flat angles P-C4'-P energy: -106.995 tors. eta vs tors. theta energy: -234.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2361.505242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.505242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.505242 (E_RNA) where: Base-Base interactions energy: -1655.121 where: short stacking energy: -694.008 Base-Backbone interact. energy: -1.957 local terms energy: -704.426611 where: bonds (distance) C4'-P energy: -117.323 bonds (distance) P-C4' energy: -117.853 flat angles C4'-P-C4' energy: -145.034 flat angles P-C4'-P energy: -96.912 tors. eta vs tors. theta energy: -227.304 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: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2281.995019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.995019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.995019 (E_RNA) where: Base-Base interactions energy: -1626.428 where: short stacking energy: -642.806 Base-Backbone interact. energy: -0.198 local terms energy: -655.368995 where: bonds (distance) C4'-P energy: -103.930 bonds (distance) P-C4' energy: -121.419 flat angles C4'-P-C4' energy: -141.307 flat angles P-C4'-P energy: -87.642 tors. eta vs tors. theta energy: -201.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2293.361892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.361892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.361892 (E_RNA) where: Base-Base interactions energy: -1600.622 where: short stacking energy: -665.718 Base-Backbone interact. energy: 0.725 local terms energy: -693.464666 where: bonds (distance) C4'-P energy: -117.778 bonds (distance) P-C4' energy: -138.830 flat angles C4'-P-C4' energy: -127.541 flat angles P-C4'-P energy: -97.126 tors. eta vs tors. theta energy: -212.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2112.098338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.098338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.098338 (E_RNA) where: Base-Base interactions energy: -1512.099 where: short stacking energy: -616.691 Base-Backbone interact. energy: 0.698 local terms energy: -600.697466 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -137.187 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -178.674 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: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -2004.509071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.509071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.509071 (E_RNA) where: Base-Base interactions energy: -1427.489 where: short stacking energy: -585.139 Base-Backbone interact. energy: -1.267 local terms energy: -575.753252 where: bonds (distance) C4'-P energy: -107.455 bonds (distance) P-C4' energy: -104.370 flat angles C4'-P-C4' energy: -111.449 flat angles P-C4'-P energy: -79.003 tors. eta vs tors. theta energy: -173.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -618.273695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.273695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.273695 (E_RNA) where: Base-Base interactions energy: -282.559 where: short stacking energy: -169.974 Base-Backbone interact. energy: -1.921 local terms energy: -333.794029 where: bonds (distance) C4'-P energy: -110.091 bonds (distance) P-C4' energy: -102.589 flat angles C4'-P-C4' energy: -79.495 flat angles P-C4'-P energy: -58.075 tors. eta vs tors. theta energy: 16.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2720.851150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.851150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.851150 (E_RNA) where: Base-Base interactions energy: -1936.155 where: short stacking energy: -766.353 Base-Backbone interact. energy: -3.968 local terms energy: -780.728194 where: bonds (distance) C4'-P energy: -145.677 bonds (distance) P-C4' energy: -134.814 flat angles C4'-P-C4' energy: -157.213 flat angles P-C4'-P energy: -112.715 tors. eta vs tors. theta energy: -230.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2588.247658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.247658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.247658 (E_RNA) where: Base-Base interactions energy: -1845.875 where: short stacking energy: -741.175 Base-Backbone interact. energy: -3.570 local terms energy: -738.802547 where: bonds (distance) C4'-P energy: -135.475 bonds (distance) P-C4' energy: -113.331 flat angles C4'-P-C4' energy: -146.981 flat angles P-C4'-P energy: -115.596 tors. eta vs tors. theta energy: -227.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2538.569580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.569580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.569580 (E_RNA) where: Base-Base interactions energy: -1778.567 where: short stacking energy: -736.165 Base-Backbone interact. energy: -1.489 local terms energy: -758.513261 where: bonds (distance) C4'-P energy: -135.240 bonds (distance) P-C4' energy: -134.697 flat angles C4'-P-C4' energy: -154.763 flat angles P-C4'-P energy: -98.348 tors. eta vs tors. theta energy: -235.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2447.284456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.284456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.284456 (E_RNA) where: Base-Base interactions energy: -1730.701 where: short stacking energy: -728.962 Base-Backbone interact. energy: -1.519 local terms energy: -715.064639 where: bonds (distance) C4'-P energy: -118.375 bonds (distance) P-C4' energy: -118.392 flat angles C4'-P-C4' energy: -157.496 flat angles P-C4'-P energy: -95.030 tors. eta vs tors. theta energy: -225.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2372.247990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.247990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.247990 (E_RNA) where: Base-Base interactions energy: -1691.812 where: short stacking energy: -685.278 Base-Backbone interact. energy: 0.838 local terms energy: -681.273795 where: bonds (distance) C4'-P energy: -111.843 bonds (distance) P-C4' energy: -116.233 flat angles C4'-P-C4' energy: -149.810 flat angles P-C4'-P energy: -89.560 tors. eta vs tors. theta energy: -213.828 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: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2312.172057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.172057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.172057 (E_RNA) where: Base-Base interactions energy: -1633.914 where: short stacking energy: -650.061 Base-Backbone interact. energy: -0.701 local terms energy: -677.556711 where: bonds (distance) C4'-P energy: -129.576 bonds (distance) P-C4' energy: -115.419 flat angles C4'-P-C4' energy: -137.023 flat angles P-C4'-P energy: -87.206 tors. eta vs tors. theta energy: -208.333 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: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2284.713531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.713531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.713531 (E_RNA) where: Base-Base interactions energy: -1647.260 where: short stacking energy: -669.861 Base-Backbone interact. energy: -0.730 local terms energy: -636.722998 where: bonds (distance) C4'-P energy: -116.932 bonds (distance) P-C4' energy: -101.944 flat angles C4'-P-C4' energy: -116.629 flat angles P-C4'-P energy: -84.522 tors. eta vs tors. theta energy: -216.697 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: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -2161.090777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.090777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.090777 (E_RNA) where: Base-Base interactions energy: -1531.764 where: short stacking energy: -630.783 Base-Backbone interact. energy: 3.285 local terms energy: -632.611493 where: bonds (distance) C4'-P energy: -95.499 bonds (distance) P-C4' energy: -104.019 flat angles C4'-P-C4' energy: -150.356 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -196.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -2026.366442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.366442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.366442 (E_RNA) where: Base-Base interactions energy: -1441.977 where: short stacking energy: -593.452 Base-Backbone interact. energy: -2.802 local terms energy: -581.586945 where: bonds (distance) C4'-P energy: -106.323 bonds (distance) P-C4' energy: -100.816 flat angles C4'-P-C4' energy: -115.028 flat angles P-C4'-P energy: -81.725 tors. eta vs tors. theta energy: -177.695 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: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -660.809420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.809420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.809420 (E_RNA) where: Base-Base interactions energy: -295.570 where: short stacking energy: -173.363 Base-Backbone interact. energy: -0.583 local terms energy: -364.656793 where: bonds (distance) C4'-P energy: -106.564 bonds (distance) P-C4' energy: -106.628 flat angles C4'-P-C4' energy: -108.585 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: 25.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2708.110225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.110225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.110225 (E_RNA) where: Base-Base interactions energy: -1932.330 where: short stacking energy: -771.477 Base-Backbone interact. energy: -3.820 local terms energy: -771.960695 where: bonds (distance) C4'-P energy: -132.913 bonds (distance) P-C4' energy: -130.847 flat angles C4'-P-C4' energy: -163.897 flat angles P-C4'-P energy: -114.996 tors. eta vs tors. theta energy: -229.307 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: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2592.787241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.787241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.787241 (E_RNA) where: Base-Base interactions energy: -1840.174 where: short stacking energy: -753.414 Base-Backbone interact. energy: -0.371 local terms energy: -752.242107 where: bonds (distance) C4'-P energy: -129.821 bonds (distance) P-C4' energy: -134.421 flat angles C4'-P-C4' energy: -150.159 flat angles P-C4'-P energy: -111.152 tors. eta vs tors. theta energy: -226.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2541.762922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.762922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.762922 (E_RNA) where: Base-Base interactions energy: -1777.299 where: short stacking energy: -737.600 Base-Backbone interact. energy: -1.988 local terms energy: -762.475275 where: bonds (distance) C4'-P energy: -137.534 bonds (distance) P-C4' energy: -139.388 flat angles C4'-P-C4' energy: -149.180 flat angles P-C4'-P energy: -104.821 tors. eta vs tors. theta energy: -231.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2456.080511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.080511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.080511 (E_RNA) where: Base-Base interactions energy: -1730.587 where: short stacking energy: -717.010 Base-Backbone interact. energy: -1.920 local terms energy: -723.572914 where: bonds (distance) C4'-P energy: -120.526 bonds (distance) P-C4' energy: -120.218 flat angles C4'-P-C4' energy: -151.366 flat angles P-C4'-P energy: -105.960 tors. eta vs tors. theta energy: -225.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2402.081821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.081821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.081821 (E_RNA) where: Base-Base interactions energy: -1699.795 where: short stacking energy: -692.950 Base-Backbone interact. energy: -1.349 local terms energy: -700.937965 where: bonds (distance) C4'-P energy: -125.920 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -144.666 flat angles P-C4'-P energy: -94.170 tors. eta vs tors. theta energy: -216.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2285.979492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.979492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.979492 (E_RNA) where: Base-Base interactions energy: -1604.297 where: short stacking energy: -672.026 Base-Backbone interact. energy: 0.051 local terms energy: -681.733825 where: bonds (distance) C4'-P energy: -120.276 bonds (distance) P-C4' energy: -122.812 flat angles C4'-P-C4' energy: -126.447 flat angles P-C4'-P energy: -101.474 tors. eta vs tors. theta energy: -210.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2265.959064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.959064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.959064 (E_RNA) where: Base-Base interactions energy: -1586.736 where: short stacking energy: -628.816 Base-Backbone interact. energy: 0.850 local terms energy: -680.073505 where: bonds (distance) C4'-P energy: -113.869 bonds (distance) P-C4' energy: -131.700 flat angles C4'-P-C4' energy: -133.949 flat angles P-C4'-P energy: -99.731 tors. eta vs tors. theta energy: -200.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2097.874578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.874578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.874578 (E_RNA) where: Base-Base interactions energy: -1475.565 where: short stacking energy: -588.369 Base-Backbone interact. energy: -0.021 local terms energy: -622.288810 where: bonds (distance) C4'-P energy: -97.450 bonds (distance) P-C4' energy: -121.700 flat angles C4'-P-C4' energy: -140.442 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -167.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -2032.616433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.616433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.616433 (E_RNA) where: Base-Base interactions energy: -1440.887 where: short stacking energy: -604.499 Base-Backbone interact. energy: -0.943 local terms energy: -590.786643 where: bonds (distance) C4'-P energy: -88.141 bonds (distance) P-C4' energy: -113.071 flat angles C4'-P-C4' energy: -132.361 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -168.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -671.278553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.278553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.278553 (E_RNA) where: Base-Base interactions energy: -344.764 where: short stacking energy: -202.333 Base-Backbone interact. energy: -0.617 local terms energy: -325.897929 where: bonds (distance) C4'-P energy: -84.074 bonds (distance) P-C4' energy: -86.669 flat angles C4'-P-C4' energy: -100.883 flat angles P-C4'-P energy: -61.164 tors. eta vs tors. theta energy: 6.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2679.505376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.505376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.505376 (E_RNA) where: Base-Base interactions energy: -1938.867 where: short stacking energy: -768.803 Base-Backbone interact. energy: 2.190 local terms energy: -742.828325 where: bonds (distance) C4'-P energy: -112.076 bonds (distance) P-C4' energy: -137.047 flat angles C4'-P-C4' energy: -150.313 flat angles P-C4'-P energy: -114.200 tors. eta vs tors. theta energy: -229.192 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: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2612.542706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.542706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.542706 (E_RNA) where: Base-Base interactions energy: -1849.381 where: short stacking energy: -743.991 Base-Backbone interact. energy: 0.078 local terms energy: -763.239754 where: bonds (distance) C4'-P energy: -130.522 bonds (distance) P-C4' energy: -137.914 flat angles C4'-P-C4' energy: -148.488 flat angles P-C4'-P energy: -114.583 tors. eta vs tors. theta energy: -231.733 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: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2509.275652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.275652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.275652 (E_RNA) where: Base-Base interactions energy: -1758.720 where: short stacking energy: -735.883 Base-Backbone interact. energy: -0.683 local terms energy: -749.872653 where: bonds (distance) C4'-P energy: -121.666 bonds (distance) P-C4' energy: -136.096 flat angles C4'-P-C4' energy: -156.069 flat angles P-C4'-P energy: -109.773 tors. eta vs tors. theta energy: -226.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2483.316415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.316415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.316415 (E_RNA) where: Base-Base interactions energy: -1769.913 where: short stacking energy: -750.904 Base-Backbone interact. energy: 0.671 local terms energy: -714.074305 where: bonds (distance) C4'-P energy: -123.047 bonds (distance) P-C4' energy: -121.865 flat angles C4'-P-C4' energy: -151.216 flat angles P-C4'-P energy: -94.977 tors. eta vs tors. theta energy: -222.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2430.375117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.375117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.375117 (E_RNA) where: Base-Base interactions energy: -1732.605 where: short stacking energy: -731.779 Base-Backbone interact. energy: -0.389 local terms energy: -697.381335 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -132.142 flat angles C4'-P-C4' energy: -148.911 flat angles P-C4'-P energy: -87.541 tors. eta vs tors. theta energy: -217.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2322.589840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.589840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.589840 (E_RNA) where: Base-Base interactions energy: -1649.034 where: short stacking energy: -681.921 Base-Backbone interact. energy: -2.578 local terms energy: -670.978213 where: bonds (distance) C4'-P energy: -107.715 bonds (distance) P-C4' energy: -111.531 flat angles C4'-P-C4' energy: -147.778 flat angles P-C4'-P energy: -95.205 tors. eta vs tors. theta energy: -208.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2313.790001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.790001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.790001 (E_RNA) where: Base-Base interactions energy: -1676.438 where: short stacking energy: -655.344 Base-Backbone interact. energy: -1.867 local terms energy: -635.484888 where: bonds (distance) C4'-P energy: -85.131 bonds (distance) P-C4' energy: -128.849 flat angles C4'-P-C4' energy: -128.225 flat angles P-C4'-P energy: -88.738 tors. eta vs tors. theta energy: -204.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2024.176440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.176440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.176440 (E_RNA) where: Base-Base interactions energy: -1424.787 where: short stacking energy: -569.135 Base-Backbone interact. energy: 1.083 local terms energy: -600.472382 where: bonds (distance) C4'-P energy: -103.474 bonds (distance) P-C4' energy: -111.977 flat angles C4'-P-C4' energy: -130.913 flat angles P-C4'-P energy: -88.481 tors. eta vs tors. theta energy: -165.628 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: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1957.854675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.854675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.854675 (E_RNA) where: Base-Base interactions energy: -1393.182 where: short stacking energy: -560.958 Base-Backbone interact. energy: -0.376 local terms energy: -564.296349 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -99.925 flat angles C4'-P-C4' energy: -122.317 flat angles P-C4'-P energy: -90.312 tors. eta vs tors. theta energy: -166.278 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: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -681.731439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.731439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.731439 (E_RNA) where: Base-Base interactions energy: -350.760 where: short stacking energy: -200.048 Base-Backbone interact. energy: -3.455 local terms energy: -327.516641 where: bonds (distance) C4'-P energy: -97.945 bonds (distance) P-C4' energy: -91.372 flat angles C4'-P-C4' energy: -107.267 flat angles P-C4'-P energy: -33.469 tors. eta vs tors. theta energy: 2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2675.066567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.066567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.066567 (E_RNA) where: Base-Base interactions energy: -1912.126 where: short stacking energy: -769.522 Base-Backbone interact. energy: -1.007 local terms energy: -761.933766 where: bonds (distance) C4'-P energy: -131.120 bonds (distance) P-C4' energy: -127.071 flat angles C4'-P-C4' energy: -158.641 flat angles P-C4'-P energy: -107.357 tors. eta vs tors. theta energy: -237.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2618.396227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.396227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.396227 (E_RNA) where: Base-Base interactions energy: -1893.432 where: short stacking energy: -762.803 Base-Backbone interact. energy: 0.128 local terms energy: -725.092264 where: bonds (distance) C4'-P energy: -129.440 bonds (distance) P-C4' energy: -115.341 flat angles C4'-P-C4' energy: -150.113 flat angles P-C4'-P energy: -105.728 tors. eta vs tors. theta energy: -224.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2527.430814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.430814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.430814 (E_RNA) where: Base-Base interactions energy: -1793.065 where: short stacking energy: -753.284 Base-Backbone interact. energy: -0.997 local terms energy: -733.368617 where: bonds (distance) C4'-P energy: -114.911 bonds (distance) P-C4' energy: -117.890 flat angles C4'-P-C4' energy: -157.668 flat angles P-C4'-P energy: -111.896 tors. eta vs tors. theta energy: -231.004 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: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2479.237180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.237180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.237180 (E_RNA) where: Base-Base interactions energy: -1766.239 where: short stacking energy: -731.236 Base-Backbone interact. energy: 1.215 local terms energy: -714.212686 where: bonds (distance) C4'-P energy: -115.875 bonds (distance) P-C4' energy: -128.291 flat angles C4'-P-C4' energy: -147.458 flat angles P-C4'-P energy: -99.579 tors. eta vs tors. theta energy: -223.011 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: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2395.423416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.423416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.423416 (E_RNA) where: Base-Base interactions energy: -1700.485 where: short stacking energy: -708.473 Base-Backbone interact. energy: -1.292 local terms energy: -693.646806 where: bonds (distance) C4'-P energy: -108.845 bonds (distance) P-C4' energy: -126.399 flat angles C4'-P-C4' energy: -151.601 flat angles P-C4'-P energy: -88.338 tors. eta vs tors. theta energy: -218.465 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: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2385.288569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.288569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.288569 (E_RNA) where: Base-Base interactions energy: -1683.382 where: short stacking energy: -703.261 Base-Backbone interact. energy: -2.085 local terms energy: -699.821207 where: bonds (distance) C4'-P energy: -105.717 bonds (distance) P-C4' energy: -129.288 flat angles C4'-P-C4' energy: -135.834 flat angles P-C4'-P energy: -101.015 tors. eta vs tors. theta energy: -227.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2260.549653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.549653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.549653 (E_RNA) where: Base-Base interactions energy: -1600.350 where: short stacking energy: -657.728 Base-Backbone interact. energy: 5.915 local terms energy: -666.114468 where: bonds (distance) C4'-P energy: -106.829 bonds (distance) P-C4' energy: -125.757 flat angles C4'-P-C4' energy: -139.903 flat angles P-C4'-P energy: -81.657 tors. eta vs tors. theta energy: -211.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -2080.239995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.239995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.239995 (E_RNA) where: Base-Base interactions energy: -1499.583 where: short stacking energy: -599.069 Base-Backbone interact. energy: 1.027 local terms energy: -581.684703 where: bonds (distance) C4'-P energy: -109.724 bonds (distance) P-C4' energy: -100.919 flat angles C4'-P-C4' energy: -127.346 flat angles P-C4'-P energy: -71.316 tors. eta vs tors. theta energy: -172.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1950.472257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.472257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.472257 (E_RNA) where: Base-Base interactions energy: -1359.876 where: short stacking energy: -551.956 Base-Backbone interact. energy: 0.898 local terms energy: -591.494243 where: bonds (distance) C4'-P energy: -108.073 bonds (distance) P-C4' energy: -119.552 flat angles C4'-P-C4' energy: -107.972 flat angles P-C4'-P energy: -93.082 tors. eta vs tors. theta energy: -162.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -763.056631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.056631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.056631 (E_RNA) where: Base-Base interactions energy: -433.936 where: short stacking energy: -203.918 Base-Backbone interact. energy: 0.512 local terms energy: -329.632327 where: bonds (distance) C4'-P energy: -111.507 bonds (distance) P-C4' energy: -93.517 flat angles C4'-P-C4' energy: -87.165 flat angles P-C4'-P energy: -50.259 tors. eta vs tors. theta energy: 12.816 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: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2681.682173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.682173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.682173 (E_RNA) where: Base-Base interactions energy: -1900.441 where: short stacking energy: -752.586 Base-Backbone interact. energy: -3.270 local terms energy: -777.971283 where: bonds (distance) C4'-P energy: -148.708 bonds (distance) P-C4' energy: -128.208 flat angles C4'-P-C4' energy: -154.923 flat angles P-C4'-P energy: -115.349 tors. eta vs tors. theta energy: -230.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2594.732095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.732095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.732095 (E_RNA) where: Base-Base interactions energy: -1846.871 where: short stacking energy: -726.105 Base-Backbone interact. energy: -1.280 local terms energy: -746.581835 where: bonds (distance) C4'-P energy: -130.268 bonds (distance) P-C4' energy: -129.081 flat angles C4'-P-C4' energy: -155.130 flat angles P-C4'-P energy: -116.157 tors. eta vs tors. theta energy: -215.945 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: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2497.392862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.392862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.392862 (E_RNA) where: Base-Base interactions energy: -1737.566 where: short stacking energy: -725.865 Base-Backbone interact. energy: -1.882 local terms energy: -757.944813 where: bonds (distance) C4'-P energy: -128.693 bonds (distance) P-C4' energy: -131.420 flat angles C4'-P-C4' energy: -147.453 flat angles P-C4'-P energy: -116.648 tors. eta vs tors. theta energy: -233.731 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: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2464.564729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.564729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.564729 (E_RNA) where: Base-Base interactions energy: -1722.373 where: short stacking energy: -713.981 Base-Backbone interact. energy: -3.753 local terms energy: -738.438929 where: bonds (distance) C4'-P energy: -126.551 bonds (distance) P-C4' energy: -136.696 flat angles C4'-P-C4' energy: -151.738 flat angles P-C4'-P energy: -97.261 tors. eta vs tors. theta energy: -226.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2333.543006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.543006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.543006 (E_RNA) where: Base-Base interactions energy: -1657.014 where: short stacking energy: -675.755 Base-Backbone interact. energy: -2.884 local terms energy: -673.645183 where: bonds (distance) C4'-P energy: -102.152 bonds (distance) P-C4' energy: -115.034 flat angles C4'-P-C4' energy: -141.088 flat angles P-C4'-P energy: -109.204 tors. eta vs tors. theta energy: -206.168 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: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2392.691154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.691154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.691154 (E_RNA) where: Base-Base interactions energy: -1689.427 where: short stacking energy: -695.761 Base-Backbone interact. energy: -0.936 local terms energy: -702.327531 where: bonds (distance) C4'-P energy: -128.977 bonds (distance) P-C4' energy: -111.061 flat angles C4'-P-C4' energy: -143.515 flat angles P-C4'-P energy: -101.463 tors. eta vs tors. theta energy: -217.311 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: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2189.889290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.889290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.889290 (E_RNA) where: Base-Base interactions energy: -1570.901 where: short stacking energy: -640.266 Base-Backbone interact. energy: -0.198 local terms energy: -618.789803 where: bonds (distance) C4'-P energy: -103.302 bonds (distance) P-C4' energy: -110.479 flat angles C4'-P-C4' energy: -128.980 flat angles P-C4'-P energy: -81.641 tors. eta vs tors. theta energy: -194.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2125.966701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.966701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.966701 (E_RNA) where: Base-Base interactions energy: -1525.804 where: short stacking energy: -610.109 Base-Backbone interact. energy: 3.792 local terms energy: -603.954528 where: bonds (distance) C4'-P energy: -112.346 bonds (distance) P-C4' energy: -125.438 flat angles C4'-P-C4' energy: -115.888 flat angles P-C4'-P energy: -68.984 tors. eta vs tors. theta energy: -181.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1930.559117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.559117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.559117 (E_RNA) where: Base-Base interactions energy: -1361.695 where: short stacking energy: -551.814 Base-Backbone interact. energy: -2.690 local terms energy: -566.174634 where: bonds (distance) C4'-P energy: -128.390 bonds (distance) P-C4' energy: -78.999 flat angles C4'-P-C4' energy: -128.413 flat angles P-C4'-P energy: -70.830 tors. eta vs tors. theta energy: -159.543 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: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -648.863197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.863197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.863197 (E_RNA) where: Base-Base interactions energy: -313.680 where: short stacking energy: -192.825 Base-Backbone interact. energy: -2.515 local terms energy: -332.668039 where: bonds (distance) C4'-P energy: -103.564 bonds (distance) P-C4' energy: -91.499 flat angles C4'-P-C4' energy: -92.218 flat angles P-C4'-P energy: -64.966 tors. eta vs tors. theta energy: 19.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2693.828868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.828868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.828868 (E_RNA) where: Base-Base interactions energy: -1951.908 where: short stacking energy: -778.012 Base-Backbone interact. energy: -1.567 local terms energy: -740.354126 where: bonds (distance) C4'-P energy: -117.857 bonds (distance) P-C4' energy: -129.309 flat angles C4'-P-C4' energy: -156.784 flat angles P-C4'-P energy: -105.643 tors. eta vs tors. theta energy: -230.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2630.259136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.259136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.259136 (E_RNA) where: Base-Base interactions energy: -1862.365 where: short stacking energy: -750.707 Base-Backbone interact. energy: 1.796 local terms energy: -769.690282 where: bonds (distance) C4'-P energy: -135.521 bonds (distance) P-C4' energy: -142.273 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -113.572 tors. eta vs tors. theta energy: -226.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2502.758677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.758677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.758677 (E_RNA) where: Base-Base interactions energy: -1771.174 where: short stacking energy: -759.673 Base-Backbone interact. energy: 2.882 local terms energy: -734.466231 where: bonds (distance) C4'-P energy: -110.664 bonds (distance) P-C4' energy: -125.403 flat angles C4'-P-C4' energy: -159.003 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -240.871 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: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2467.567561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.567561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.567561 (E_RNA) where: Base-Base interactions energy: -1747.819 where: short stacking energy: -706.810 Base-Backbone interact. energy: -0.875 local terms energy: -718.873569 where: bonds (distance) C4'-P energy: -120.746 bonds (distance) P-C4' energy: -129.650 flat angles C4'-P-C4' energy: -148.928 flat angles P-C4'-P energy: -91.966 tors. eta vs tors. theta energy: -227.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2340.949965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.949965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.949965 (E_RNA) where: Base-Base interactions energy: -1690.293 where: short stacking energy: -669.948 Base-Backbone interact. energy: 1.809 local terms energy: -652.465722 where: bonds (distance) C4'-P energy: -111.913 bonds (distance) P-C4' energy: -96.292 flat angles C4'-P-C4' energy: -148.925 flat angles P-C4'-P energy: -95.265 tors. eta vs tors. theta energy: -200.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2388.172073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.172073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.172073 (E_RNA) where: Base-Base interactions energy: -1670.536 where: short stacking energy: -690.566 Base-Backbone interact. energy: 1.343 local terms energy: -718.979516 where: bonds (distance) C4'-P energy: -139.504 bonds (distance) P-C4' energy: -110.632 flat angles C4'-P-C4' energy: -149.049 flat angles P-C4'-P energy: -92.689 tors. eta vs tors. theta energy: -227.106 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: 7, replica: 3 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2150.610177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.610177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.610177 (E_RNA) where: Base-Base interactions energy: -1523.910 where: short stacking energy: -619.901 Base-Backbone interact. energy: -4.592 local terms energy: -622.107930 where: bonds (distance) C4'-P energy: -83.074 bonds (distance) P-C4' energy: -120.138 flat angles C4'-P-C4' energy: -132.466 flat angles P-C4'-P energy: -106.854 tors. eta vs tors. theta energy: -179.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2002.782817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.782817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.782817 (E_RNA) where: Base-Base interactions energy: -1417.585 where: short stacking energy: -588.487 Base-Backbone interact. energy: -0.991 local terms energy: -584.206782 where: bonds (distance) C4'-P energy: -107.811 bonds (distance) P-C4' energy: -96.614 flat angles C4'-P-C4' energy: -122.270 flat angles P-C4'-P energy: -93.325 tors. eta vs tors. theta energy: -164.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -2030.176845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.176845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.176845 (E_RNA) where: Base-Base interactions energy: -1446.485 where: short stacking energy: -599.196 Base-Backbone interact. energy: 3.048 local terms energy: -586.740275 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -95.589 flat angles C4'-P-C4' energy: -132.691 flat angles P-C4'-P energy: -68.322 tors. eta vs tors. theta energy: -170.821 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -673.577765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.577765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.577765 (E_RNA) where: Base-Base interactions energy: -311.903 where: short stacking energy: -173.099 Base-Backbone interact. energy: -0.370 local terms energy: -361.305017 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -105.596 flat angles C4'-P-C4' energy: -109.873 flat angles P-C4'-P energy: -62.220 tors. eta vs tors. theta energy: 12.915 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: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2645.298894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.298894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.298894 (E_RNA) where: Base-Base interactions energy: -1891.889 where: short stacking energy: -757.181 Base-Backbone interact. energy: -0.786 local terms energy: -752.623862 where: bonds (distance) C4'-P energy: -129.652 bonds (distance) P-C4' energy: -141.147 flat angles C4'-P-C4' energy: -148.273 flat angles P-C4'-P energy: -106.063 tors. eta vs tors. theta energy: -227.489 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: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2644.025574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.025574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.025574 (E_RNA) where: Base-Base interactions energy: -1882.308 where: short stacking energy: -763.738 Base-Backbone interact. energy: 1.274 local terms energy: -762.992073 where: bonds (distance) C4'-P energy: -127.660 bonds (distance) P-C4' energy: -129.060 flat angles C4'-P-C4' energy: -154.870 flat angles P-C4'-P energy: -117.430 tors. eta vs tors. theta energy: -233.972 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: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2497.566267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.566267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.566267 (E_RNA) where: Base-Base interactions energy: -1720.174 where: short stacking energy: -711.161 Base-Backbone interact. energy: -2.504 local terms energy: -774.887854 where: bonds (distance) C4'-P energy: -147.027 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -160.984 flat angles P-C4'-P energy: -102.826 tors. eta vs tors. theta energy: -229.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2476.662326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.662326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.662326 (E_RNA) where: Base-Base interactions energy: -1753.571 where: short stacking energy: -715.731 Base-Backbone interact. energy: -0.683 local terms energy: -722.408434 where: bonds (distance) C4'-P energy: -114.079 bonds (distance) P-C4' energy: -135.977 flat angles C4'-P-C4' energy: -133.061 flat angles P-C4'-P energy: -103.761 tors. eta vs tors. theta energy: -235.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2375.837005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.837005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.837005 (E_RNA) where: Base-Base interactions energy: -1698.352 where: short stacking energy: -684.862 Base-Backbone interact. energy: 1.414 local terms energy: -678.898419 where: bonds (distance) C4'-P energy: -111.907 bonds (distance) P-C4' energy: -122.435 flat angles C4'-P-C4' energy: -135.355 flat angles P-C4'-P energy: -96.964 tors. eta vs tors. theta energy: -212.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2372.344720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.344720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.344720 (E_RNA) where: Base-Base interactions energy: -1698.487 where: short stacking energy: -702.727 Base-Backbone interact. energy: -0.598 local terms energy: -673.260194 where: bonds (distance) C4'-P energy: -104.781 bonds (distance) P-C4' energy: -121.491 flat angles C4'-P-C4' energy: -137.997 flat angles P-C4'-P energy: -93.754 tors. eta vs tors. theta energy: -215.237 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: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2178.825914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.825914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.825914 (E_RNA) where: Base-Base interactions energy: -1541.039 where: short stacking energy: -636.917 Base-Backbone interact. energy: -2.745 local terms energy: -635.041317 where: bonds (distance) C4'-P energy: -117.101 bonds (distance) P-C4' energy: -112.896 flat angles C4'-P-C4' energy: -126.947 flat angles P-C4'-P energy: -91.201 tors. eta vs tors. theta energy: -186.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2013.689362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.689362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.689362 (E_RNA) where: Base-Base interactions energy: -1422.698 where: short stacking energy: -574.130 Base-Backbone interact. energy: -3.058 local terms energy: -587.933530 where: bonds (distance) C4'-P energy: -114.165 bonds (distance) P-C4' energy: -105.083 flat angles C4'-P-C4' energy: -123.935 flat angles P-C4'-P energy: -85.354 tors. eta vs tors. theta energy: -159.396 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: 388 Temperature: 1.300000 Total energy: -2024.419801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.419801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.419801 (E_RNA) where: Base-Base interactions energy: -1447.815 where: short stacking energy: -593.933 Base-Backbone interact. energy: 1.061 local terms energy: -577.665846 where: bonds (distance) C4'-P energy: -108.307 bonds (distance) P-C4' energy: -114.721 flat angles C4'-P-C4' energy: -118.821 flat angles P-C4'-P energy: -78.564 tors. eta vs tors. theta energy: -157.254 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: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -627.222142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.222142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.222142 (E_RNA) where: Base-Base interactions energy: -284.639 where: short stacking energy: -156.338 Base-Backbone interact. energy: 3.180 local terms energy: -345.762947 where: bonds (distance) C4'-P energy: -105.384 bonds (distance) P-C4' energy: -112.945 flat angles C4'-P-C4' energy: -99.661 flat angles P-C4'-P energy: -47.090 tors. eta vs tors. theta energy: 19.317 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: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2641.566569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.566569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.566569 (E_RNA) where: Base-Base interactions energy: -1914.726 where: short stacking energy: -739.620 Base-Backbone interact. energy: -1.376 local terms energy: -725.465393 where: bonds (distance) C4'-P energy: -116.293 bonds (distance) P-C4' energy: -123.366 flat angles C4'-P-C4' energy: -158.931 flat angles P-C4'-P energy: -103.146 tors. eta vs tors. theta energy: -223.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2629.562032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.562032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.562032 (E_RNA) where: Base-Base interactions energy: -1876.071 where: short stacking energy: -747.857 Base-Backbone interact. energy: 1.597 local terms energy: -755.087798 where: bonds (distance) C4'-P energy: -125.224 bonds (distance) P-C4' energy: -133.697 flat angles C4'-P-C4' energy: -151.007 flat angles P-C4'-P energy: -118.501 tors. eta vs tors. theta energy: -226.658 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: 10 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2514.995516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.995516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.995516 (E_RNA) where: Base-Base interactions energy: -1746.464 where: short stacking energy: -722.199 Base-Backbone interact. energy: -1.948 local terms energy: -766.583724 where: bonds (distance) C4'-P energy: -139.211 bonds (distance) P-C4' energy: -135.747 flat angles C4'-P-C4' energy: -146.611 flat angles P-C4'-P energy: -109.254 tors. eta vs tors. theta energy: -235.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2479.475622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.475622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.475622 (E_RNA) where: Base-Base interactions energy: -1758.734 where: short stacking energy: -732.755 Base-Backbone interact. energy: 0.298 local terms energy: -721.039163 where: bonds (distance) C4'-P energy: -117.471 bonds (distance) P-C4' energy: -115.111 flat angles C4'-P-C4' energy: -155.599 flat angles P-C4'-P energy: -111.043 tors. eta vs tors. theta energy: -221.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2435.126494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.126494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.126494 (E_RNA) where: Base-Base interactions energy: -1723.179 where: short stacking energy: -708.842 Base-Backbone interact. energy: -3.180 local terms energy: -708.767393 where: bonds (distance) C4'-P energy: -107.761 bonds (distance) P-C4' energy: -125.445 flat angles C4'-P-C4' energy: -147.932 flat angles P-C4'-P energy: -98.243 tors. eta vs tors. theta energy: -229.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2348.787601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.787601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.787601 (E_RNA) where: Base-Base interactions energy: -1660.366 where: short stacking energy: -694.465 Base-Backbone interact. energy: 0.644 local terms energy: -689.065697 where: bonds (distance) C4'-P energy: -113.531 bonds (distance) P-C4' energy: -114.930 flat angles C4'-P-C4' energy: -143.822 flat angles P-C4'-P energy: -96.392 tors. eta vs tors. theta energy: -220.391 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: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2258.634826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.634826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.634826 (E_RNA) where: Base-Base interactions energy: -1608.695 where: short stacking energy: -653.842 Base-Backbone interact. energy: -2.232 local terms energy: -647.708004 where: bonds (distance) C4'-P energy: -123.000 bonds (distance) P-C4' energy: -113.769 flat angles C4'-P-C4' energy: -137.335 flat angles P-C4'-P energy: -84.808 tors. eta vs tors. theta energy: -188.796 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: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2040.430214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.430214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.430214 (E_RNA) where: Base-Base interactions energy: -1441.858 where: short stacking energy: -576.348 Base-Backbone interact. energy: 3.322 local terms energy: -601.894953 where: bonds (distance) C4'-P energy: -118.592 bonds (distance) P-C4' energy: -122.415 flat angles C4'-P-C4' energy: -126.102 flat angles P-C4'-P energy: -88.915 tors. eta vs tors. theta energy: -145.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -2031.024239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.024239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.024239 (E_RNA) where: Base-Base interactions energy: -1437.674 where: short stacking energy: -591.208 Base-Backbone interact. energy: -0.918 local terms energy: -592.432075 where: bonds (distance) C4'-P energy: -90.932 bonds (distance) P-C4' energy: -99.751 flat angles C4'-P-C4' energy: -148.268 flat angles P-C4'-P energy: -89.199 tors. eta vs tors. theta energy: -164.282 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: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -641.897002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.897002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.897002 (E_RNA) where: Base-Base interactions energy: -289.893 where: short stacking energy: -170.805 Base-Backbone interact. energy: -4.116 local terms energy: -347.887768 where: bonds (distance) C4'-P energy: -97.582 bonds (distance) P-C4' energy: -124.158 flat angles C4'-P-C4' energy: -95.291 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: 12.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2694.293908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.293908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.293908 (E_RNA) where: Base-Base interactions energy: -1909.687 where: short stacking energy: -785.498 Base-Backbone interact. energy: -0.280 local terms energy: -784.326590 where: bonds (distance) C4'-P energy: -134.446 bonds (distance) P-C4' energy: -147.447 flat angles C4'-P-C4' energy: -149.296 flat angles P-C4'-P energy: -119.482 tors. eta vs tors. theta energy: -233.655 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: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2599.037807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.037807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.037807 (E_RNA) where: Base-Base interactions energy: -1839.872 where: short stacking energy: -750.960 Base-Backbone interact. energy: -2.878 local terms energy: -756.288150 where: bonds (distance) C4'-P energy: -135.078 bonds (distance) P-C4' energy: -127.544 flat angles C4'-P-C4' energy: -163.133 flat angles P-C4'-P energy: -104.465 tors. eta vs tors. theta energy: -226.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2544.202520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.202520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.202520 (E_RNA) where: Base-Base interactions energy: -1804.147 where: short stacking energy: -760.189 Base-Backbone interact. energy: 0.062 local terms energy: -740.117886 where: bonds (distance) C4'-P energy: -115.808 bonds (distance) P-C4' energy: -123.637 flat angles C4'-P-C4' energy: -154.202 flat angles P-C4'-P energy: -107.042 tors. eta vs tors. theta energy: -239.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2502.005020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.005020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.005020 (E_RNA) where: Base-Base interactions energy: -1766.526 where: short stacking energy: -724.818 Base-Backbone interact. energy: -0.718 local terms energy: -734.761094 where: bonds (distance) C4'-P energy: -129.620 bonds (distance) P-C4' energy: -130.596 flat angles C4'-P-C4' energy: -151.183 flat angles P-C4'-P energy: -102.826 tors. eta vs tors. theta energy: -220.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2386.731128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.731128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.731128 (E_RNA) where: Base-Base interactions energy: -1674.612 where: short stacking energy: -687.888 Base-Backbone interact. energy: -1.537 local terms energy: -710.581858 where: bonds (distance) C4'-P energy: -127.249 bonds (distance) P-C4' energy: -116.807 flat angles C4'-P-C4' energy: -152.366 flat angles P-C4'-P energy: -96.605 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: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2371.182709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.182709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.182709 (E_RNA) where: Base-Base interactions energy: -1679.698 where: short stacking energy: -682.006 Base-Backbone interact. energy: -1.879 local terms energy: -689.605664 where: bonds (distance) C4'-P energy: -118.106 bonds (distance) P-C4' energy: -116.966 flat angles C4'-P-C4' energy: -140.216 flat angles P-C4'-P energy: -98.130 tors. eta vs tors. theta energy: -216.188 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: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2243.588648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.588648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.588648 (E_RNA) where: Base-Base interactions energy: -1589.289 where: short stacking energy: -649.338 Base-Backbone interact. energy: -2.857 local terms energy: -651.443045 where: bonds (distance) C4'-P energy: -125.828 bonds (distance) P-C4' energy: -103.417 flat angles C4'-P-C4' energy: -146.576 flat angles P-C4'-P energy: -70.597 tors. eta vs tors. theta energy: -205.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -2089.040503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.040503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.040503 (E_RNA) where: Base-Base interactions energy: -1475.372 where: short stacking energy: -567.326 Base-Backbone interact. energy: -2.054 local terms energy: -611.615066 where: bonds (distance) C4'-P energy: -107.341 bonds (distance) P-C4' energy: -108.305 flat angles C4'-P-C4' energy: -131.992 flat angles P-C4'-P energy: -95.117 tors. eta vs tors. theta energy: -168.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1957.486724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.486724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.486724 (E_RNA) where: Base-Base interactions energy: -1400.354 where: short stacking energy: -553.367 Base-Backbone interact. energy: 4.088 local terms energy: -561.220783 where: bonds (distance) C4'-P energy: -104.399 bonds (distance) P-C4' energy: -97.515 flat angles C4'-P-C4' energy: -124.705 flat angles P-C4'-P energy: -81.613 tors. eta vs tors. theta energy: -152.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -601.720918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.720918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.720918 (E_RNA) where: Base-Base interactions energy: -258.955 where: short stacking energy: -168.280 Base-Backbone interact. energy: -3.244 local terms energy: -339.522304 where: bonds (distance) C4'-P energy: -107.024 bonds (distance) P-C4' energy: -105.619 flat angles C4'-P-C4' energy: -98.944 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: 25.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2704.628553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.628553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.628553 (E_RNA) where: Base-Base interactions energy: -1939.633 where: short stacking energy: -789.701 Base-Backbone interact. energy: -2.383 local terms energy: -762.613026 where: bonds (distance) C4'-P energy: -132.776 bonds (distance) P-C4' energy: -135.403 flat angles C4'-P-C4' energy: -152.867 flat angles P-C4'-P energy: -107.820 tors. eta vs tors. theta energy: -233.747 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: 9 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2597.769981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.769981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.769981 (E_RNA) where: Base-Base interactions energy: -1856.245 where: short stacking energy: -743.721 Base-Backbone interact. energy: -2.276 local terms energy: -739.248505 where: bonds (distance) C4'-P energy: -123.592 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -156.254 flat angles P-C4'-P energy: -107.532 tors. eta vs tors. theta energy: -223.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2555.876103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.876103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.876103 (E_RNA) where: Base-Base interactions energy: -1808.614 where: short stacking energy: -747.146 Base-Backbone interact. energy: -1.872 local terms energy: -745.389890 where: bonds (distance) C4'-P energy: -112.712 bonds (distance) P-C4' energy: -131.112 flat angles C4'-P-C4' energy: -156.945 flat angles P-C4'-P energy: -114.370 tors. eta vs tors. theta energy: -230.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2484.157965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.157965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.157965 (E_RNA) where: Base-Base interactions energy: -1763.137 where: short stacking energy: -736.150 Base-Backbone interact. energy: 1.069 local terms energy: -722.090027 where: bonds (distance) C4'-P energy: -123.437 bonds (distance) P-C4' energy: -124.531 flat angles C4'-P-C4' energy: -152.052 flat angles P-C4'-P energy: -101.486 tors. eta vs tors. theta energy: -220.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2421.947196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.947196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.947196 (E_RNA) where: Base-Base interactions energy: -1723.326 where: short stacking energy: -709.625 Base-Backbone interact. energy: -1.205 local terms energy: -697.416655 where: bonds (distance) C4'-P energy: -107.658 bonds (distance) P-C4' energy: -117.822 flat angles C4'-P-C4' energy: -153.205 flat angles P-C4'-P energy: -103.792 tors. eta vs tors. theta energy: -214.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2391.775713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.775713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.775713 (E_RNA) where: Base-Base interactions energy: -1694.469 where: short stacking energy: -681.428 Base-Backbone interact. energy: 0.538 local terms energy: -697.844584 where: bonds (distance) C4'-P energy: -118.612 bonds (distance) P-C4' energy: -123.507 flat angles C4'-P-C4' energy: -150.891 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -220.696 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: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2243.227074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.227074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.227074 (E_RNA) where: Base-Base interactions energy: -1584.639 where: short stacking energy: -681.195 Base-Backbone interact. energy: -0.953 local terms energy: -657.635541 where: bonds (distance) C4'-P energy: -113.296 bonds (distance) P-C4' energy: -105.569 flat angles C4'-P-C4' energy: -145.160 flat angles P-C4'-P energy: -82.362 tors. eta vs tors. theta energy: -211.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2067.517795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.517795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.517795 (E_RNA) where: Base-Base interactions energy: -1481.976 where: short stacking energy: -611.574 Base-Backbone interact. energy: -1.099 local terms energy: -584.442401 where: bonds (distance) C4'-P energy: -107.043 bonds (distance) P-C4' energy: -108.699 flat angles C4'-P-C4' energy: -113.899 flat angles P-C4'-P energy: -77.701 tors. eta vs tors. theta energy: -177.100 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: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1999.475422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.475422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.475422 (E_RNA) where: Base-Base interactions energy: -1421.524 where: short stacking energy: -590.282 Base-Backbone interact. energy: -0.354 local terms energy: -577.597818 where: bonds (distance) C4'-P energy: -122.719 bonds (distance) P-C4' energy: -99.066 flat angles C4'-P-C4' energy: -107.975 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -167.425 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: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -617.039171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.039171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.039171 (E_RNA) where: Base-Base interactions energy: -277.916 where: short stacking energy: -164.237 Base-Backbone interact. energy: 4.759 local terms energy: -343.882361 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -104.665 flat angles C4'-P-C4' energy: -97.460 flat angles P-C4'-P energy: -46.544 tors. eta vs tors. theta energy: 21.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2701.128693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.128693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.128693 (E_RNA) where: Base-Base interactions energy: -1928.183 where: short stacking energy: -793.101 Base-Backbone interact. energy: -0.725 local terms energy: -772.220402 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -134.780 flat angles C4'-P-C4' energy: -162.634 flat angles P-C4'-P energy: -119.226 tors. eta vs tors. theta energy: -234.783 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: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2608.158551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.158551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.158551 (E_RNA) where: Base-Base interactions energy: -1866.047 where: short stacking energy: -735.167 Base-Backbone interact. energy: -1.343 local terms energy: -740.768765 where: bonds (distance) C4'-P energy: -128.778 bonds (distance) P-C4' energy: -123.583 flat angles C4'-P-C4' energy: -151.418 flat angles P-C4'-P energy: -117.445 tors. eta vs tors. theta energy: -219.545 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: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2542.020087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.020087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.020087 (E_RNA) where: Base-Base interactions energy: -1785.085 where: short stacking energy: -731.285 Base-Backbone interact. energy: -0.024 local terms energy: -756.911618 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -133.114 flat angles C4'-P-C4' energy: -154.547 flat angles P-C4'-P energy: -117.537 tors. eta vs tors. theta energy: -235.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2451.324627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.324627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.324627 (E_RNA) where: Base-Base interactions energy: -1730.922 where: short stacking energy: -704.079 Base-Backbone interact. energy: -0.459 local terms energy: -719.943167 where: bonds (distance) C4'-P energy: -126.730 bonds (distance) P-C4' energy: -120.825 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -103.623 tors. eta vs tors. theta energy: -217.899 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: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2417.988927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.988927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.988927 (E_RNA) where: Base-Base interactions energy: -1719.433 where: short stacking energy: -688.772 Base-Backbone interact. energy: -2.971 local terms energy: -695.584951 where: bonds (distance) C4'-P energy: -126.529 bonds (distance) P-C4' energy: -110.666 flat angles C4'-P-C4' energy: -155.944 flat angles P-C4'-P energy: -85.935 tors. eta vs tors. theta energy: -216.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2344.530216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.530216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.530216 (E_RNA) where: Base-Base interactions energy: -1657.283 where: short stacking energy: -681.523 Base-Backbone interact. energy: -2.541 local terms energy: -684.705357 where: bonds (distance) C4'-P energy: -112.890 bonds (distance) P-C4' energy: -121.087 flat angles C4'-P-C4' energy: -136.221 flat angles P-C4'-P energy: -99.287 tors. eta vs tors. theta energy: -215.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2195.027627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.027627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.027627 (E_RNA) where: Base-Base interactions energy: -1550.689 where: short stacking energy: -635.772 Base-Backbone interact. energy: -0.560 local terms energy: -643.778583 where: bonds (distance) C4'-P energy: -118.701 bonds (distance) P-C4' energy: -115.284 flat angles C4'-P-C4' energy: -132.284 flat angles P-C4'-P energy: -88.863 tors. eta vs tors. theta energy: -188.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -2099.634698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.634698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.634698 (E_RNA) where: Base-Base interactions energy: -1466.639 where: short stacking energy: -589.415 Base-Backbone interact. energy: -2.476 local terms energy: -630.519347 where: bonds (distance) C4'-P energy: -112.016 bonds (distance) P-C4' energy: -113.567 flat angles C4'-P-C4' energy: -134.296 flat angles P-C4'-P energy: -100.003 tors. eta vs tors. theta energy: -170.638 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: 392 Temperature: 1.300000 Total energy: -2016.773245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.773245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.773245 (E_RNA) where: Base-Base interactions energy: -1417.189 where: short stacking energy: -580.315 Base-Backbone interact. energy: 1.071 local terms energy: -600.655110 where: bonds (distance) C4'-P energy: -114.307 bonds (distance) P-C4' energy: -112.550 flat angles C4'-P-C4' energy: -134.356 flat angles P-C4'-P energy: -79.548 tors. eta vs tors. theta energy: -159.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -693.319938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.319938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.319938 (E_RNA) where: Base-Base interactions energy: -350.063 where: short stacking energy: -211.410 Base-Backbone interact. energy: -1.973 local terms energy: -341.283882 where: bonds (distance) C4'-P energy: -104.502 bonds (distance) P-C4' energy: -95.294 flat angles C4'-P-C4' energy: -96.587 flat angles P-C4'-P energy: -63.360 tors. eta vs tors. theta energy: 18.459 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: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2696.648549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.648549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.648549 (E_RNA) where: Base-Base interactions energy: -1923.249 where: short stacking energy: -782.492 Base-Backbone interact. energy: -0.312 local terms energy: -773.087893 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -134.994 flat angles C4'-P-C4' energy: -164.919 flat angles P-C4'-P energy: -117.493 tors. eta vs tors. theta energy: -238.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2591.924943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.924943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.924943 (E_RNA) where: Base-Base interactions energy: -1870.401 where: short stacking energy: -754.586 Base-Backbone interact. energy: -2.350 local terms energy: -719.173375 where: bonds (distance) C4'-P energy: -108.375 bonds (distance) P-C4' energy: -136.362 flat angles C4'-P-C4' energy: -147.275 flat angles P-C4'-P energy: -100.986 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: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2544.102042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.102042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.102042 (E_RNA) where: Base-Base interactions energy: -1802.641 where: short stacking energy: -764.482 Base-Backbone interact. energy: -0.916 local terms energy: -740.545160 where: bonds (distance) C4'-P energy: -124.794 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -144.393 flat angles P-C4'-P energy: -99.502 tors. eta vs tors. theta energy: -236.807 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: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2435.782919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.782919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.782919 (E_RNA) where: Base-Base interactions energy: -1716.895 where: short stacking energy: -697.639 Base-Backbone interact. energy: -0.844 local terms energy: -718.043713 where: bonds (distance) C4'-P energy: -109.387 bonds (distance) P-C4' energy: -125.666 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -107.625 tors. eta vs tors. theta energy: -227.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2419.323666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.323666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.323666 (E_RNA) where: Base-Base interactions energy: -1729.232 where: short stacking energy: -699.368 Base-Backbone interact. energy: -0.366 local terms energy: -689.725971 where: bonds (distance) C4'-P energy: -113.537 bonds (distance) P-C4' energy: -113.208 flat angles C4'-P-C4' energy: -149.434 flat angles P-C4'-P energy: -99.995 tors. eta vs tors. theta energy: -213.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2378.421722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.421722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.421722 (E_RNA) where: Base-Base interactions energy: -1670.724 where: short stacking energy: -711.919 Base-Backbone interact. energy: -1.623 local terms energy: -706.074882 where: bonds (distance) C4'-P energy: -102.287 bonds (distance) P-C4' energy: -129.164 flat angles C4'-P-C4' energy: -152.288 flat angles P-C4'-P energy: -106.349 tors. eta vs tors. theta energy: -215.987 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: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2233.458150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.458150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.458150 (E_RNA) where: Base-Base interactions energy: -1580.125 where: short stacking energy: -644.747 Base-Backbone interact. energy: -2.965 local terms energy: -650.367651 where: bonds (distance) C4'-P energy: -110.009 bonds (distance) P-C4' energy: -109.777 flat angles C4'-P-C4' energy: -137.503 flat angles P-C4'-P energy: -93.346 tors. eta vs tors. theta energy: -199.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -2008.068028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.068028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.068028 (E_RNA) where: Base-Base interactions energy: -1437.913 where: short stacking energy: -553.350 Base-Backbone interact. energy: 3.827 local terms energy: -573.981636 where: bonds (distance) C4'-P energy: -93.903 bonds (distance) P-C4' energy: -110.058 flat angles C4'-P-C4' energy: -139.650 flat angles P-C4'-P energy: -73.784 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: 9, replica: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1927.911504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.911504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.911504 (E_RNA) where: Base-Base interactions energy: -1348.701 where: short stacking energy: -543.551 Base-Backbone interact. energy: -3.394 local terms energy: -575.816643 where: bonds (distance) C4'-P energy: -104.557 bonds (distance) P-C4' energy: -114.406 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -82.854 tors. eta vs tors. theta energy: -143.406 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: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -708.866451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.866451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.866451 (E_RNA) where: Base-Base interactions energy: -347.589 where: short stacking energy: -186.150 Base-Backbone interact. energy: 0.071 local terms energy: -361.348921 where: bonds (distance) C4'-P energy: -98.364 bonds (distance) P-C4' energy: -130.042 flat angles C4'-P-C4' energy: -78.331 flat angles P-C4'-P energy: -70.028 tors. eta vs tors. theta energy: 15.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2700.197927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.197927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.197927 (E_RNA) where: Base-Base interactions energy: -1914.884 where: short stacking energy: -774.652 Base-Backbone interact. energy: -4.557 local terms energy: -780.756610 where: bonds (distance) C4'-P energy: -145.089 bonds (distance) P-C4' energy: -129.709 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -111.594 tors. eta vs tors. theta energy: -229.252 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: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2584.270573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.270573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.270573 (E_RNA) where: Base-Base interactions energy: -1856.277 where: short stacking energy: -743.999 Base-Backbone interact. energy: -3.304 local terms energy: -724.689448 where: bonds (distance) C4'-P energy: -128.221 bonds (distance) P-C4' energy: -122.777 flat angles C4'-P-C4' energy: -147.124 flat angles P-C4'-P energy: -103.246 tors. eta vs tors. theta energy: -223.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2527.521595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.521595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.521595 (E_RNA) where: Base-Base interactions energy: -1790.508 where: short stacking energy: -754.076 Base-Backbone interact. energy: -0.272 local terms energy: -736.742278 where: bonds (distance) C4'-P energy: -107.224 bonds (distance) P-C4' energy: -126.543 flat angles C4'-P-C4' energy: -159.763 flat angles P-C4'-P energy: -108.738 tors. eta vs tors. theta energy: -234.475 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: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2461.246270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.246270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.246270 (E_RNA) where: Base-Base interactions energy: -1738.893 where: short stacking energy: -700.361 Base-Backbone interact. energy: -1.289 local terms energy: -721.063857 where: bonds (distance) C4'-P energy: -120.495 bonds (distance) P-C4' energy: -131.431 flat angles C4'-P-C4' energy: -148.209 flat angles P-C4'-P energy: -101.298 tors. eta vs tors. theta energy: -219.631 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: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2433.587010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.587010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.587010 (E_RNA) where: Base-Base interactions energy: -1733.435 where: short stacking energy: -721.515 Base-Backbone interact. energy: -1.048 local terms energy: -699.104847 where: bonds (distance) C4'-P energy: -111.795 bonds (distance) P-C4' energy: -116.431 flat angles C4'-P-C4' energy: -139.769 flat angles P-C4'-P energy: -105.394 tors. eta vs tors. theta energy: -225.716 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: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2374.381575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.381575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.381575 (E_RNA) where: Base-Base interactions energy: -1683.570 where: short stacking energy: -692.027 Base-Backbone interact. energy: -0.824 local terms energy: -689.987858 where: bonds (distance) C4'-P energy: -97.405 bonds (distance) P-C4' energy: -116.154 flat angles C4'-P-C4' energy: -156.478 flat angles P-C4'-P energy: -100.589 tors. eta vs tors. theta energy: -219.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2214.850654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.850654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.850654 (E_RNA) where: Base-Base interactions energy: -1568.698 where: short stacking energy: -635.976 Base-Backbone interact. energy: -2.686 local terms energy: -643.466862 where: bonds (distance) C4'-P energy: -118.254 bonds (distance) P-C4' energy: -100.755 flat angles C4'-P-C4' energy: -141.960 flat angles P-C4'-P energy: -91.142 tors. eta vs tors. theta energy: -191.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -2105.511311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.511311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.511311 (E_RNA) where: Base-Base interactions energy: -1500.645 where: short stacking energy: -578.569 Base-Backbone interact. energy: -1.334 local terms energy: -603.532450 where: bonds (distance) C4'-P energy: -117.774 bonds (distance) P-C4' energy: -109.084 flat angles C4'-P-C4' energy: -128.417 flat angles P-C4'-P energy: -85.123 tors. eta vs tors. theta energy: -163.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1948.204126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.204126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.204126 (E_RNA) where: Base-Base interactions energy: -1392.121 where: short stacking energy: -570.128 Base-Backbone interact. energy: -3.571 local terms energy: -552.511332 where: bonds (distance) C4'-P energy: -103.152 bonds (distance) P-C4' energy: -109.498 flat angles C4'-P-C4' energy: -120.806 flat angles P-C4'-P energy: -70.348 tors. eta vs tors. theta energy: -148.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -741.595801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.595801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.595801 (E_RNA) where: Base-Base interactions energy: -367.611 where: short stacking energy: -186.956 Base-Backbone interact. energy: 13.460 local terms energy: -387.444446 where: bonds (distance) C4'-P energy: -109.777 bonds (distance) P-C4' energy: -105.605 flat angles C4'-P-C4' energy: -111.096 flat angles P-C4'-P energy: -59.811 tors. eta vs tors. theta energy: -1.155 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: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2703.715710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.715710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.715710 (E_RNA) where: Base-Base interactions energy: -1945.822 where: short stacking energy: -781.187 Base-Backbone interact. energy: 4.005 local terms energy: -761.898888 where: bonds (distance) C4'-P energy: -135.063 bonds (distance) P-C4' energy: -129.609 flat angles C4'-P-C4' energy: -151.517 flat angles P-C4'-P energy: -116.868 tors. eta vs tors. theta energy: -228.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2617.361458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.361458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.361458 (E_RNA) where: Base-Base interactions energy: -1885.508 where: short stacking energy: -750.648 Base-Backbone interact. energy: -3.255 local terms energy: -728.598528 where: bonds (distance) C4'-P energy: -127.249 bonds (distance) P-C4' energy: -116.425 flat angles C4'-P-C4' energy: -150.549 flat angles P-C4'-P energy: -110.617 tors. eta vs tors. theta energy: -223.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2557.805467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.805467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.805467 (E_RNA) where: Base-Base interactions energy: -1784.665 where: short stacking energy: -749.784 Base-Backbone interact. energy: 0.700 local terms energy: -773.839973 where: bonds (distance) C4'-P energy: -149.889 bonds (distance) P-C4' energy: -125.731 flat angles C4'-P-C4' energy: -166.725 flat angles P-C4'-P energy: -98.615 tors. eta vs tors. theta energy: -232.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2510.806307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.806307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.806307 (E_RNA) where: Base-Base interactions energy: -1773.174 where: short stacking energy: -738.048 Base-Backbone interact. energy: -1.014 local terms energy: -736.618220 where: bonds (distance) C4'-P energy: -118.334 bonds (distance) P-C4' energy: -121.824 flat angles C4'-P-C4' energy: -149.834 flat angles P-C4'-P energy: -111.750 tors. eta vs tors. theta energy: -234.877 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: 395 Temperature: 1.100000 Total energy: -2387.991853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.991853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.991853 (E_RNA) where: Base-Base interactions energy: -1710.854 where: short stacking energy: -704.365 Base-Backbone interact. energy: -3.541 local terms energy: -673.596817 where: bonds (distance) C4'-P energy: -109.697 bonds (distance) P-C4' energy: -106.310 flat angles C4'-P-C4' energy: -142.798 flat angles P-C4'-P energy: -99.209 tors. eta vs tors. theta energy: -215.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2364.361010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.361010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.361010 (E_RNA) where: Base-Base interactions energy: -1673.568 where: short stacking energy: -693.716 Base-Backbone interact. energy: -0.834 local terms energy: -689.958410 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -118.321 flat angles C4'-P-C4' energy: -134.468 flat angles P-C4'-P energy: -90.923 tors. eta vs tors. theta energy: -209.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2247.804840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.804840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.804840 (E_RNA) where: Base-Base interactions energy: -1594.619 where: short stacking energy: -630.129 Base-Backbone interact. energy: -1.706 local terms energy: -651.479015 where: bonds (distance) C4'-P energy: -121.055 bonds (distance) P-C4' energy: -126.700 flat angles C4'-P-C4' energy: -137.842 flat angles P-C4'-P energy: -74.756 tors. eta vs tors. theta energy: -191.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2116.647394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.647394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.647394 (E_RNA) where: Base-Base interactions energy: -1511.948 where: short stacking energy: -600.177 Base-Backbone interact. energy: -4.594 local terms energy: -600.105954 where: bonds (distance) C4'-P energy: -109.005 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -135.107 flat angles P-C4'-P energy: -93.830 tors. eta vs tors. theta energy: -170.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1951.551051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.551051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.551051 (E_RNA) where: Base-Base interactions energy: -1396.666 where: short stacking energy: -573.813 Base-Backbone interact. energy: -0.205 local terms energy: -554.680198 where: bonds (distance) C4'-P energy: -114.801 bonds (distance) P-C4' energy: -92.997 flat angles C4'-P-C4' energy: -120.418 flat angles P-C4'-P energy: -80.691 tors. eta vs tors. theta energy: -145.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -741.412224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.412224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.412224 (E_RNA) where: Base-Base interactions energy: -385.359 where: short stacking energy: -207.252 Base-Backbone interact. energy: 2.373 local terms energy: -358.426602 where: bonds (distance) C4'-P energy: -112.524 bonds (distance) P-C4' energy: -88.984 flat angles C4'-P-C4' energy: -90.434 flat angles P-C4'-P energy: -62.086 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2707.103635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.103635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.103635 (E_RNA) where: Base-Base interactions energy: -1916.034 where: short stacking energy: -787.621 Base-Backbone interact. energy: -5.331 local terms energy: -785.738449 where: bonds (distance) C4'-P energy: -139.837 bonds (distance) P-C4' energy: -130.867 flat angles C4'-P-C4' energy: -160.516 flat angles P-C4'-P energy: -121.722 tors. eta vs tors. theta energy: -232.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2620.770843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.770843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.770843 (E_RNA) where: Base-Base interactions energy: -1884.991 where: short stacking energy: -746.330 Base-Backbone interact. energy: -4.287 local terms energy: -731.493252 where: bonds (distance) C4'-P energy: -127.418 bonds (distance) P-C4' energy: -135.811 flat angles C4'-P-C4' energy: -158.200 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -217.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2547.093316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.093316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.093316 (E_RNA) where: Base-Base interactions energy: -1806.933 where: short stacking energy: -772.970 Base-Backbone interact. energy: -1.137 local terms energy: -739.022660 where: bonds (distance) C4'-P energy: -127.700 bonds (distance) P-C4' energy: -106.152 flat angles C4'-P-C4' energy: -158.452 flat angles P-C4'-P energy: -115.621 tors. eta vs tors. theta energy: -231.097 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: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2467.744709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.744709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.744709 (E_RNA) where: Base-Base interactions energy: -1768.707 where: short stacking energy: -707.590 Base-Backbone interact. energy: -0.567 local terms energy: -698.470472 where: bonds (distance) C4'-P energy: -110.053 bonds (distance) P-C4' energy: -123.337 flat angles C4'-P-C4' energy: -153.833 flat angles P-C4'-P energy: -101.722 tors. eta vs tors. theta energy: -209.526 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: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2436.489264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.489264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.489264 (E_RNA) where: Base-Base interactions energy: -1718.637 where: short stacking energy: -716.213 Base-Backbone interact. energy: -0.481 local terms energy: -717.371512 where: bonds (distance) C4'-P energy: -128.885 bonds (distance) P-C4' energy: -128.261 flat angles C4'-P-C4' energy: -137.343 flat angles P-C4'-P energy: -96.728 tors. eta vs tors. theta energy: -226.154 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: 6, replica: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2315.983177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.983177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.983177 (E_RNA) where: Base-Base interactions energy: -1681.987 where: short stacking energy: -670.490 Base-Backbone interact. energy: -1.444 local terms energy: -632.552208 where: bonds (distance) C4'-P energy: -96.881 bonds (distance) P-C4' energy: -112.815 flat angles C4'-P-C4' energy: -141.573 flat angles P-C4'-P energy: -81.137 tors. eta vs tors. theta energy: -200.145 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: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2194.587099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.587099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.587099 (E_RNA) where: Base-Base interactions energy: -1566.814 where: short stacking energy: -626.045 Base-Backbone interact. energy: -0.873 local terms energy: -626.899538 where: bonds (distance) C4'-P energy: -112.368 bonds (distance) P-C4' energy: -113.628 flat angles C4'-P-C4' energy: -123.768 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -184.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -2112.478462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.478462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.478462 (E_RNA) where: Base-Base interactions energy: -1507.368 where: short stacking energy: -614.891 Base-Backbone interact. energy: -1.261 local terms energy: -603.850091 where: bonds (distance) C4'-P energy: -95.072 bonds (distance) P-C4' energy: -103.434 flat angles C4'-P-C4' energy: -138.601 flat angles P-C4'-P energy: -88.867 tors. eta vs tors. theta energy: -177.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1898.119288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.119288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.119288 (E_RNA) where: Base-Base interactions energy: -1357.917 where: short stacking energy: -534.983 Base-Backbone interact. energy: -1.354 local terms energy: -538.848165 where: bonds (distance) C4'-P energy: -98.128 bonds (distance) P-C4' energy: -103.489 flat angles C4'-P-C4' energy: -125.441 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -141.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -748.644910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.644910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.644910 (E_RNA) where: Base-Base interactions energy: -389.127 where: short stacking energy: -203.214 Base-Backbone interact. energy: -1.300 local terms energy: -358.217644 where: bonds (distance) C4'-P energy: -87.807 bonds (distance) P-C4' energy: -127.626 flat angles C4'-P-C4' energy: -94.823 flat angles P-C4'-P energy: -44.964 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2723.778861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.778861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.778861 (E_RNA) where: Base-Base interactions energy: -1929.080 where: short stacking energy: -791.609 Base-Backbone interact. energy: -2.284 local terms energy: -792.415071 where: bonds (distance) C4'-P energy: -131.353 bonds (distance) P-C4' energy: -136.604 flat angles C4'-P-C4' energy: -168.139 flat angles P-C4'-P energy: -117.810 tors. eta vs tors. theta energy: -238.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2626.789589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.789589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.789589 (E_RNA) where: Base-Base interactions energy: -1872.847 where: short stacking energy: -731.319 Base-Backbone interact. energy: -2.348 local terms energy: -751.593959 where: bonds (distance) C4'-P energy: -135.438 bonds (distance) P-C4' energy: -129.274 flat angles C4'-P-C4' energy: -159.070 flat angles P-C4'-P energy: -108.385 tors. eta vs tors. theta energy: -219.427 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: 10 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2491.384787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.384787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.384787 (E_RNA) where: Base-Base interactions energy: -1759.445 where: short stacking energy: -720.452 Base-Backbone interact. energy: -1.788 local terms energy: -730.152051 where: bonds (distance) C4'-P energy: -118.989 bonds (distance) P-C4' energy: -131.591 flat angles C4'-P-C4' energy: -153.589 flat angles P-C4'-P energy: -103.099 tors. eta vs tors. theta energy: -222.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2492.883209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.883209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.883209 (E_RNA) where: Base-Base interactions energy: -1767.774 where: short stacking energy: -717.567 Base-Backbone interact. energy: -0.341 local terms energy: -724.767890 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -132.294 flat angles C4'-P-C4' energy: -154.868 flat angles P-C4'-P energy: -103.332 tors. eta vs tors. theta energy: -223.512 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: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2437.383543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.383543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.383543 (E_RNA) where: Base-Base interactions energy: -1734.069 where: short stacking energy: -722.442 Base-Backbone interact. energy: -1.649 local terms energy: -701.665025 where: bonds (distance) C4'-P energy: -113.938 bonds (distance) P-C4' energy: -120.171 flat angles C4'-P-C4' energy: -149.581 flat angles P-C4'-P energy: -90.237 tors. eta vs tors. theta energy: -227.738 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: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2298.404020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.404020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.404020 (E_RNA) where: Base-Base interactions energy: -1636.832 where: short stacking energy: -650.724 Base-Backbone interact. energy: 1.025 local terms energy: -662.596458 where: bonds (distance) C4'-P energy: -105.474 bonds (distance) P-C4' energy: -113.455 flat angles C4'-P-C4' energy: -145.002 flat angles P-C4'-P energy: -101.179 tors. eta vs tors. theta energy: -197.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2180.198398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.198398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.198398 (E_RNA) where: Base-Base interactions energy: -1528.131 where: short stacking energy: -620.802 Base-Backbone interact. energy: 1.516 local terms energy: -653.584023 where: bonds (distance) C4'-P energy: -118.899 bonds (distance) P-C4' energy: -117.635 flat angles C4'-P-C4' energy: -134.708 flat angles P-C4'-P energy: -102.718 tors. eta vs tors. theta energy: -179.623 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: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -2100.632484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.632484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.632484 (E_RNA) where: Base-Base interactions energy: -1493.453 where: short stacking energy: -606.656 Base-Backbone interact. energy: 2.175 local terms energy: -609.354408 where: bonds (distance) C4'-P energy: -112.331 bonds (distance) P-C4' energy: -98.500 flat angles C4'-P-C4' energy: -136.789 flat angles P-C4'-P energy: -78.536 tors. eta vs tors. theta energy: -183.199 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: 397 Temperature: 1.300000 Total energy: -1891.389786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.389786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.389786 (E_RNA) where: Base-Base interactions energy: -1339.309 where: short stacking energy: -536.070 Base-Backbone interact. energy: 1.326 local terms energy: -553.406196 where: bonds (distance) C4'-P energy: -92.939 bonds (distance) P-C4' energy: -111.104 flat angles C4'-P-C4' energy: -133.510 flat angles P-C4'-P energy: -84.676 tors. eta vs tors. theta energy: -131.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -782.137995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.137995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.137995 (E_RNA) where: Base-Base interactions energy: -415.715 where: short stacking energy: -211.182 Base-Backbone interact. energy: 1.450 local terms energy: -367.872902 where: bonds (distance) C4'-P energy: -94.926 bonds (distance) P-C4' energy: -126.540 flat angles C4'-P-C4' energy: -83.766 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -13.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2688.849228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.849228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.849228 (E_RNA) where: Base-Base interactions energy: -1934.506 where: short stacking energy: -772.083 Base-Backbone interact. energy: -3.535 local terms energy: -750.808076 where: bonds (distance) C4'-P energy: -122.853 bonds (distance) P-C4' energy: -134.300 flat angles C4'-P-C4' energy: -150.059 flat angles P-C4'-P energy: -113.347 tors. eta vs tors. theta energy: -230.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2616.640770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.640770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.640770 (E_RNA) where: Base-Base interactions energy: -1882.294 where: short stacking energy: -755.146 Base-Backbone interact. energy: -1.065 local terms energy: -733.281211 where: bonds (distance) C4'-P energy: -133.479 bonds (distance) P-C4' energy: -132.161 flat angles C4'-P-C4' energy: -147.909 flat angles P-C4'-P energy: -97.375 tors. eta vs tors. theta energy: -222.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2554.098151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.098151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.098151 (E_RNA) where: Base-Base interactions energy: -1828.764 where: short stacking energy: -739.371 Base-Backbone interact. energy: -1.157 local terms energy: -724.177295 where: bonds (distance) C4'-P energy: -122.886 bonds (distance) P-C4' energy: -129.636 flat angles C4'-P-C4' energy: -154.765 flat angles P-C4'-P energy: -88.669 tors. eta vs tors. theta energy: -228.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2428.451280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.451280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.451280 (E_RNA) where: Base-Base interactions energy: -1716.317 where: short stacking energy: -713.287 Base-Backbone interact. energy: -1.392 local terms energy: -710.742532 where: bonds (distance) C4'-P energy: -118.006 bonds (distance) P-C4' energy: -127.128 flat angles C4'-P-C4' energy: -155.222 flat angles P-C4'-P energy: -94.689 tors. eta vs tors. theta energy: -215.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2439.697358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.697358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.697358 (E_RNA) where: Base-Base interactions energy: -1731.869 where: short stacking energy: -705.470 Base-Backbone interact. energy: -1.308 local terms energy: -706.521219 where: bonds (distance) C4'-P energy: -118.022 bonds (distance) P-C4' energy: -119.245 flat angles C4'-P-C4' energy: -145.152 flat angles P-C4'-P energy: -97.215 tors. eta vs tors. theta energy: -226.887 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: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2316.499177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.499177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.499177 (E_RNA) where: Base-Base interactions energy: -1654.330 where: short stacking energy: -667.189 Base-Backbone interact. energy: 1.221 local terms energy: -663.390539 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -120.195 flat angles C4'-P-C4' energy: -138.670 flat angles P-C4'-P energy: -83.098 tors. eta vs tors. theta energy: -215.128 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: 7, replica: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2178.259176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.259176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.259176 (E_RNA) where: Base-Base interactions energy: -1543.180 where: short stacking energy: -635.445 Base-Backbone interact. energy: -0.401 local terms energy: -634.678046 where: bonds (distance) C4'-P energy: -100.395 bonds (distance) P-C4' energy: -122.096 flat angles C4'-P-C4' energy: -130.862 flat angles P-C4'-P energy: -95.261 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: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2068.257213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.257213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.257213 (E_RNA) where: Base-Base interactions energy: -1468.581 where: short stacking energy: -602.637 Base-Backbone interact. energy: -1.579 local terms energy: -598.097154 where: bonds (distance) C4'-P energy: -86.985 bonds (distance) P-C4' energy: -114.757 flat angles C4'-P-C4' energy: -136.136 flat angles P-C4'-P energy: -77.987 tors. eta vs tors. theta energy: -182.232 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: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1906.964837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.964837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.964837 (E_RNA) where: Base-Base interactions energy: -1351.146 where: short stacking energy: -535.780 Base-Backbone interact. energy: 0.317 local terms energy: -556.135998 where: bonds (distance) C4'-P energy: -90.186 bonds (distance) P-C4' energy: -109.732 flat angles C4'-P-C4' energy: -137.489 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -134.677 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: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -771.772294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.772294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.772294 (E_RNA) where: Base-Base interactions energy: -408.444 where: short stacking energy: -205.709 Base-Backbone interact. energy: -0.491 local terms energy: -362.836803 where: bonds (distance) C4'-P energy: -94.140 bonds (distance) P-C4' energy: -113.978 flat angles C4'-P-C4' energy: -89.321 flat angles P-C4'-P energy: -57.252 tors. eta vs tors. theta energy: -8.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2686.560037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.560037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.560037 (E_RNA) where: Base-Base interactions energy: -1941.846 where: short stacking energy: -790.285 Base-Backbone interact. energy: -3.079 local terms energy: -741.634695 where: bonds (distance) C4'-P energy: -134.073 bonds (distance) P-C4' energy: -121.020 flat angles C4'-P-C4' energy: -153.174 flat angles P-C4'-P energy: -100.409 tors. eta vs tors. theta energy: -232.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2602.894048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.894048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.894048 (E_RNA) where: Base-Base interactions energy: -1859.396 where: short stacking energy: -743.427 Base-Backbone interact. energy: -2.880 local terms energy: -740.618745 where: bonds (distance) C4'-P energy: -132.589 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -147.807 flat angles P-C4'-P energy: -93.480 tors. eta vs tors. theta energy: -229.860 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: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2548.035986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.035986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.035986 (E_RNA) where: Base-Base interactions energy: -1808.890 where: short stacking energy: -724.161 Base-Backbone interact. energy: -2.391 local terms energy: -736.755273 where: bonds (distance) C4'-P energy: -132.957 bonds (distance) P-C4' energy: -120.252 flat angles C4'-P-C4' energy: -156.944 flat angles P-C4'-P energy: -95.268 tors. eta vs tors. theta energy: -231.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2486.311263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.311263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.311263 (E_RNA) where: Base-Base interactions energy: -1741.587 where: short stacking energy: -729.645 Base-Backbone interact. energy: -2.859 local terms energy: -741.865714 where: bonds (distance) C4'-P energy: -130.100 bonds (distance) P-C4' energy: -126.068 flat angles C4'-P-C4' energy: -157.467 flat angles P-C4'-P energy: -99.239 tors. eta vs tors. theta energy: -228.992 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: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2417.031125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.031125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.031125 (E_RNA) where: Base-Base interactions energy: -1713.167 where: short stacking energy: -720.840 Base-Backbone interact. energy: -0.638 local terms energy: -703.225631 where: bonds (distance) C4'-P energy: -118.197 bonds (distance) P-C4' energy: -119.683 flat angles C4'-P-C4' energy: -146.725 flat angles P-C4'-P energy: -99.425 tors. eta vs tors. theta energy: -219.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2315.436426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.436426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.436426 (E_RNA) where: Base-Base interactions energy: -1655.987 where: short stacking energy: -668.441 Base-Backbone interact. energy: -1.248 local terms energy: -658.201140 where: bonds (distance) C4'-P energy: -111.926 bonds (distance) P-C4' energy: -111.233 flat angles C4'-P-C4' energy: -140.347 flat angles P-C4'-P energy: -88.268 tors. eta vs tors. theta energy: -206.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2207.680822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.680822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.680822 (E_RNA) where: Base-Base interactions energy: -1582.552 where: short stacking energy: -667.650 Base-Backbone interact. energy: -2.684 local terms energy: -622.445209 where: bonds (distance) C4'-P energy: -111.884 bonds (distance) P-C4' energy: -98.813 flat angles C4'-P-C4' energy: -139.827 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -178.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2044.190223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.190223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.190223 (E_RNA) where: Base-Base interactions energy: -1436.659 where: short stacking energy: -609.944 Base-Backbone interact. energy: -0.818 local terms energy: -606.713117 where: bonds (distance) C4'-P energy: -101.225 bonds (distance) P-C4' energy: -106.210 flat angles C4'-P-C4' energy: -133.703 flat angles P-C4'-P energy: -86.832 tors. eta vs tors. theta energy: -178.743 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: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1904.178446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.178446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.178446 (E_RNA) where: Base-Base interactions energy: -1337.253 where: short stacking energy: -521.206 Base-Backbone interact. energy: -0.719 local terms energy: -566.206152 where: bonds (distance) C4'-P energy: -96.484 bonds (distance) P-C4' energy: -115.676 flat angles C4'-P-C4' energy: -123.695 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -140.698 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: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -726.285458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.285458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.285458 (E_RNA) where: Base-Base interactions energy: -373.666 where: short stacking energy: -211.916 Base-Backbone interact. energy: 3.011 local terms energy: -355.630725 where: bonds (distance) C4'-P energy: -107.966 bonds (distance) P-C4' energy: -106.843 flat angles C4'-P-C4' energy: -96.725 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2694.736521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.736521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.736521 (E_RNA) where: Base-Base interactions energy: -1929.663 where: short stacking energy: -776.690 Base-Backbone interact. energy: -2.840 local terms energy: -762.233009 where: bonds (distance) C4'-P energy: -135.957 bonds (distance) P-C4' energy: -136.209 flat angles C4'-P-C4' energy: -151.754 flat angles P-C4'-P energy: -105.200 tors. eta vs tors. theta energy: -233.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2614.418973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.418973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.418973 (E_RNA) where: Base-Base interactions energy: -1849.538 where: short stacking energy: -752.294 Base-Backbone interact. energy: -0.087 local terms energy: -764.793571 where: bonds (distance) C4'-P energy: -137.272 bonds (distance) P-C4' energy: -128.823 flat angles C4'-P-C4' energy: -162.341 flat angles P-C4'-P energy: -115.171 tors. eta vs tors. theta energy: -221.186 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: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2515.981105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.981105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.981105 (E_RNA) where: Base-Base interactions energy: -1786.068 where: short stacking energy: -755.009 Base-Backbone interact. energy: -2.022 local terms energy: -727.891131 where: bonds (distance) C4'-P energy: -125.399 bonds (distance) P-C4' energy: -122.946 flat angles C4'-P-C4' energy: -147.069 flat angles P-C4'-P energy: -106.985 tors. eta vs tors. theta energy: -225.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2495.756357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.756357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.756357 (E_RNA) where: Base-Base interactions energy: -1789.234 where: short stacking energy: -732.533 Base-Backbone interact. energy: -1.796 local terms energy: -704.726052 where: bonds (distance) C4'-P energy: -119.213 bonds (distance) P-C4' energy: -124.656 flat angles C4'-P-C4' energy: -147.957 flat angles P-C4'-P energy: -89.139 tors. eta vs tors. theta energy: -223.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2400.470581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.470581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.470581 (E_RNA) where: Base-Base interactions energy: -1703.781 where: short stacking energy: -695.633 Base-Backbone interact. energy: -2.423 local terms energy: -694.267052 where: bonds (distance) C4'-P energy: -109.405 bonds (distance) P-C4' energy: -128.531 flat angles C4'-P-C4' energy: -151.130 flat angles P-C4'-P energy: -85.733 tors. eta vs tors. theta energy: -219.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2336.618676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.618676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.618676 (E_RNA) where: Base-Base interactions energy: -1630.226 where: short stacking energy: -677.882 Base-Backbone interact. energy: -1.009 local terms energy: -705.383878 where: bonds (distance) C4'-P energy: -99.375 bonds (distance) P-C4' energy: -143.385 flat angles C4'-P-C4' energy: -141.727 flat angles P-C4'-P energy: -108.463 tors. eta vs tors. theta energy: -212.434 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: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2198.483377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.483377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.483377 (E_RNA) where: Base-Base interactions energy: -1570.910 where: short stacking energy: -639.418 Base-Backbone interact. energy: -1.065 local terms energy: -626.508741 where: bonds (distance) C4'-P energy: -105.282 bonds (distance) P-C4' energy: -115.884 flat angles C4'-P-C4' energy: -131.198 flat angles P-C4'-P energy: -90.581 tors. eta vs tors. theta energy: -183.563 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: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -2052.232847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.232847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.232847 (E_RNA) where: Base-Base interactions energy: -1452.180 where: short stacking energy: -604.138 Base-Backbone interact. energy: 1.357 local terms energy: -601.409594 where: bonds (distance) C4'-P energy: -102.767 bonds (distance) P-C4' energy: -102.056 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -89.293 tors. eta vs tors. theta energy: -175.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1980.096208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.096208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.096208 (E_RNA) where: Base-Base interactions energy: -1381.234 where: short stacking energy: -569.232 Base-Backbone interact. energy: 0.922 local terms energy: -599.784672 where: bonds (distance) C4'-P energy: -109.128 bonds (distance) P-C4' energy: -104.210 flat angles C4'-P-C4' energy: -132.488 flat angles P-C4'-P energy: -74.165 tors. eta vs tors. theta energy: -179.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -681.107634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.107634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.107634 (E_RNA) where: Base-Base interactions energy: -317.643 where: short stacking energy: -200.902 Base-Backbone interact. energy: -0.405 local terms energy: -363.060287 where: bonds (distance) C4'-P energy: -96.425 bonds (distance) P-C4' energy: -120.756 flat angles C4'-P-C4' energy: -94.954 flat angles P-C4'-P energy: -55.361 tors. eta vs tors. theta energy: 4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2712.034165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.034165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.034165 (E_RNA) where: Base-Base interactions energy: -1927.741 where: short stacking energy: -775.186 Base-Backbone interact. energy: -3.280 local terms energy: -781.012680 where: bonds (distance) C4'-P energy: -128.053 bonds (distance) P-C4' energy: -133.206 flat angles C4'-P-C4' energy: -168.778 flat angles P-C4'-P energy: -114.371 tors. eta vs tors. theta energy: -236.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2578.932258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.932258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.932258 (E_RNA) where: Base-Base interactions energy: -1862.579 where: short stacking energy: -728.847 Base-Backbone interact. energy: -1.825 local terms energy: -714.528049 where: bonds (distance) C4'-P energy: -133.800 bonds (distance) P-C4' energy: -121.467 flat angles C4'-P-C4' energy: -147.951 flat angles P-C4'-P energy: -99.603 tors. eta vs tors. theta energy: -211.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2545.805120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.805120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.805120 (E_RNA) where: Base-Base interactions energy: -1787.338 where: short stacking energy: -769.560 Base-Backbone interact. energy: -2.507 local terms energy: -755.959859 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -124.234 flat angles C4'-P-C4' energy: -150.004 flat angles P-C4'-P energy: -106.013 tors. eta vs tors. theta energy: -241.148 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: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2515.684812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.684812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.684812 (E_RNA) where: Base-Base interactions energy: -1810.476 where: short stacking energy: -747.394 Base-Backbone interact. energy: -1.150 local terms energy: -704.058785 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -123.123 flat angles C4'-P-C4' energy: -136.329 flat angles P-C4'-P energy: -99.171 tors. eta vs tors. theta energy: -229.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2432.823319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.823319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.823319 (E_RNA) where: Base-Base interactions energy: -1732.593 where: short stacking energy: -712.178 Base-Backbone interact. energy: 1.042 local terms energy: -701.272936 where: bonds (distance) C4'-P energy: -112.043 bonds (distance) P-C4' energy: -130.912 flat angles C4'-P-C4' energy: -134.552 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -223.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2346.079252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.079252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.079252 (E_RNA) where: Base-Base interactions energy: -1641.118 where: short stacking energy: -684.871 Base-Backbone interact. energy: -1.651 local terms energy: -703.310864 where: bonds (distance) C4'-P energy: -108.460 bonds (distance) P-C4' energy: -123.942 flat angles C4'-P-C4' energy: -145.436 flat angles P-C4'-P energy: -107.019 tors. eta vs tors. theta energy: -218.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2206.768847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.768847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.768847 (E_RNA) where: Base-Base interactions energy: -1562.331 where: short stacking energy: -663.323 Base-Backbone interact. energy: 1.774 local terms energy: -646.212237 where: bonds (distance) C4'-P energy: -123.510 bonds (distance) P-C4' energy: -112.207 flat angles C4'-P-C4' energy: -129.665 flat angles P-C4'-P energy: -81.774 tors. eta vs tors. theta energy: -199.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -2045.613651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.613651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.613651 (E_RNA) where: Base-Base interactions energy: -1434.237 where: short stacking energy: -564.890 Base-Backbone interact. energy: -1.804 local terms energy: -609.572318 where: bonds (distance) C4'-P energy: -101.592 bonds (distance) P-C4' energy: -113.166 flat angles C4'-P-C4' energy: -140.933 flat angles P-C4'-P energy: -81.994 tors. eta vs tors. theta energy: -171.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1971.497872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.497872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.497872 (E_RNA) where: Base-Base interactions energy: -1388.053 where: short stacking energy: -568.451 Base-Backbone interact. energy: 0.575 local terms energy: -584.019749 where: bonds (distance) C4'-P energy: -118.031 bonds (distance) P-C4' energy: -103.991 flat angles C4'-P-C4' energy: -127.619 flat angles P-C4'-P energy: -80.546 tors. eta vs tors. theta energy: -153.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -633.648832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.648832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.648832 (E_RNA) where: Base-Base interactions energy: -297.552 where: short stacking energy: -208.077 Base-Backbone interact. energy: -0.419 local terms energy: -335.678136 where: bonds (distance) C4'-P energy: -95.392 bonds (distance) P-C4' energy: -103.306 flat angles C4'-P-C4' energy: -87.089 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -9.916 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: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2719.840841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.840841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.840841 (E_RNA) where: Base-Base interactions energy: -1941.519 where: short stacking energy: -770.191 Base-Backbone interact. energy: -0.415 local terms energy: -777.907020 where: bonds (distance) C4'-P energy: -134.694 bonds (distance) P-C4' energy: -120.593 flat angles C4'-P-C4' energy: -165.205 flat angles P-C4'-P energy: -119.166 tors. eta vs tors. theta energy: -238.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2577.023122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.023122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.023122 (E_RNA) where: Base-Base interactions energy: -1844.370 where: short stacking energy: -732.994 Base-Backbone interact. energy: -1.465 local terms energy: -731.188063 where: bonds (distance) C4'-P energy: -121.653 bonds (distance) P-C4' energy: -127.176 flat angles C4'-P-C4' energy: -153.271 flat angles P-C4'-P energy: -105.485 tors. eta vs tors. theta energy: -223.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2544.747605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.747605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.747605 (E_RNA) where: Base-Base interactions energy: -1799.098 where: short stacking energy: -755.818 Base-Backbone interact. energy: -0.990 local terms energy: -744.658793 where: bonds (distance) C4'-P energy: -119.020 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -163.402 flat angles P-C4'-P energy: -102.754 tors. eta vs tors. theta energy: -234.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2494.701069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.701069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.701069 (E_RNA) where: Base-Base interactions energy: -1763.903 where: short stacking energy: -699.024 Base-Backbone interact. energy: -1.049 local terms energy: -729.749700 where: bonds (distance) C4'-P energy: -121.410 bonds (distance) P-C4' energy: -128.747 flat angles C4'-P-C4' energy: -151.340 flat angles P-C4'-P energy: -106.315 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: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2377.204361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.204361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.204361 (E_RNA) where: Base-Base interactions energy: -1679.433 where: short stacking energy: -689.521 Base-Backbone interact. energy: -1.269 local terms energy: -696.502523 where: bonds (distance) C4'-P energy: -122.059 bonds (distance) P-C4' energy: -110.540 flat angles C4'-P-C4' energy: -145.402 flat angles P-C4'-P energy: -104.148 tors. eta vs tors. theta energy: -214.354 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: 6, replica: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2368.308895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.308895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.308895 (E_RNA) where: Base-Base interactions energy: -1665.521 where: short stacking energy: -699.650 Base-Backbone interact. energy: -1.273 local terms energy: -701.515053 where: bonds (distance) C4'-P energy: -111.510 bonds (distance) P-C4' energy: -105.986 flat angles C4'-P-C4' energy: -157.724 flat angles P-C4'-P energy: -101.187 tors. eta vs tors. theta energy: -225.108 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: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2165.484038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.484038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.484038 (E_RNA) where: Base-Base interactions energy: -1548.898 where: short stacking energy: -608.808 Base-Backbone interact. energy: 1.816 local terms energy: -618.401795 where: bonds (distance) C4'-P energy: -117.177 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -134.952 flat angles P-C4'-P energy: -64.030 tors. eta vs tors. theta energy: -193.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2029.550454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.550454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.550454 (E_RNA) where: Base-Base interactions energy: -1439.447 where: short stacking energy: -585.823 Base-Backbone interact. energy: -1.473 local terms energy: -588.630529 where: bonds (distance) C4'-P energy: -82.478 bonds (distance) P-C4' energy: -107.598 flat angles C4'-P-C4' energy: -130.092 flat angles P-C4'-P energy: -89.134 tors. eta vs tors. theta energy: -179.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1981.521707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.521707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.521707 (E_RNA) where: Base-Base interactions energy: -1398.401 where: short stacking energy: -558.986 Base-Backbone interact. energy: 7.090 local terms energy: -590.210543 where: bonds (distance) C4'-P energy: -113.192 bonds (distance) P-C4' energy: -103.199 flat angles C4'-P-C4' energy: -133.861 flat angles P-C4'-P energy: -80.135 tors. eta vs tors. theta energy: -159.823 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: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -663.536323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.536323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.536323 (E_RNA) where: Base-Base interactions energy: -300.317 where: short stacking energy: -200.694 Base-Backbone interact. energy: 3.340 local terms energy: -366.559732 where: bonds (distance) C4'-P energy: -95.380 bonds (distance) P-C4' energy: -124.359 flat angles C4'-P-C4' energy: -106.893 flat angles P-C4'-P energy: -54.873 tors. eta vs tors. theta energy: 14.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2707.733563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.733563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.733563 (E_RNA) where: Base-Base interactions energy: -1942.583 where: short stacking energy: -754.160 Base-Backbone interact. energy: -4.654 local terms energy: -760.496471 where: bonds (distance) C4'-P energy: -132.632 bonds (distance) P-C4' energy: -123.429 flat angles C4'-P-C4' energy: -161.223 flat angles P-C4'-P energy: -113.414 tors. eta vs tors. theta energy: -229.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2608.985097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.985097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.985097 (E_RNA) where: Base-Base interactions energy: -1864.482 where: short stacking energy: -746.884 Base-Backbone interact. energy: -2.270 local terms energy: -742.232730 where: bonds (distance) C4'-P energy: -134.568 bonds (distance) P-C4' energy: -127.722 flat angles C4'-P-C4' energy: -148.224 flat angles P-C4'-P energy: -108.837 tors. eta vs tors. theta energy: -222.882 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: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2539.509981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.509981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.509981 (E_RNA) where: Base-Base interactions energy: -1809.500 where: short stacking energy: -751.015 Base-Backbone interact. energy: -2.107 local terms energy: -727.902420 where: bonds (distance) C4'-P energy: -113.791 bonds (distance) P-C4' energy: -125.830 flat angles C4'-P-C4' energy: -147.791 flat angles P-C4'-P energy: -108.682 tors. eta vs tors. theta energy: -231.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2481.734621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.734621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.734621 (E_RNA) where: Base-Base interactions energy: -1756.721 where: short stacking energy: -730.903 Base-Backbone interact. energy: 0.502 local terms energy: -725.515843 where: bonds (distance) C4'-P energy: -129.070 bonds (distance) P-C4' energy: -110.414 flat angles C4'-P-C4' energy: -152.790 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -227.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2390.394842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.394842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.394842 (E_RNA) where: Base-Base interactions energy: -1687.754 where: short stacking energy: -672.710 Base-Backbone interact. energy: 0.486 local terms energy: -703.126851 where: bonds (distance) C4'-P energy: -116.745 bonds (distance) P-C4' energy: -117.873 flat angles C4'-P-C4' energy: -149.691 flat angles P-C4'-P energy: -105.806 tors. eta vs tors. theta energy: -213.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2393.472708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.472708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.472708 (E_RNA) where: Base-Base interactions energy: -1701.656 where: short stacking energy: -702.084 Base-Backbone interact. energy: 4.052 local terms energy: -695.868005 where: bonds (distance) C4'-P energy: -121.857 bonds (distance) P-C4' energy: -118.137 flat angles C4'-P-C4' energy: -137.163 flat angles P-C4'-P energy: -93.308 tors. eta vs tors. theta energy: -225.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2209.772464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.772464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.772464 (E_RNA) where: Base-Base interactions energy: -1567.335 where: short stacking energy: -639.724 Base-Backbone interact. energy: 0.213 local terms energy: -642.650430 where: bonds (distance) C4'-P energy: -116.591 bonds (distance) P-C4' energy: -120.366 flat angles C4'-P-C4' energy: -122.783 flat angles P-C4'-P energy: -84.615 tors. eta vs tors. theta energy: -198.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2061.159861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.159861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.159861 (E_RNA) where: Base-Base interactions energy: -1454.119 where: short stacking energy: -611.178 Base-Backbone interact. energy: 2.953 local terms energy: -609.992959 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -114.261 flat angles C4'-P-C4' energy: -137.304 flat angles P-C4'-P energy: -84.460 tors. eta vs tors. theta energy: -173.935 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: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -2005.208722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.208722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.208722 (E_RNA) where: Base-Base interactions energy: -1419.752 where: short stacking energy: -577.839 Base-Backbone interact. energy: 3.988 local terms energy: -589.444705 where: bonds (distance) C4'-P energy: -103.328 bonds (distance) P-C4' energy: -110.966 flat angles C4'-P-C4' energy: -131.620 flat angles P-C4'-P energy: -77.853 tors. eta vs tors. theta energy: -165.678 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: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -766.840746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.840746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.840746 (E_RNA) where: Base-Base interactions energy: -386.103 where: short stacking energy: -215.534 Base-Backbone interact. energy: -2.521 local terms energy: -378.217278 where: bonds (distance) C4'-P energy: -99.618 bonds (distance) P-C4' energy: -127.085 flat angles C4'-P-C4' energy: -96.989 flat angles P-C4'-P energy: -52.374 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2719.051508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.051508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.051508 (E_RNA) where: Base-Base interactions energy: -1942.425 where: short stacking energy: -768.751 Base-Backbone interact. energy: -4.322 local terms energy: -772.304545 where: bonds (distance) C4'-P energy: -133.999 bonds (distance) P-C4' energy: -140.462 flat angles C4'-P-C4' energy: -159.333 flat angles P-C4'-P energy: -112.974 tors. eta vs tors. theta energy: -225.537 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: 2, replica: 9 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2579.052642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.052642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.052642 (E_RNA) where: Base-Base interactions energy: -1852.363 where: short stacking energy: -740.727 Base-Backbone interact. energy: -1.544 local terms energy: -725.145589 where: bonds (distance) C4'-P energy: -116.620 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -150.123 flat angles P-C4'-P energy: -106.313 tors. eta vs tors. theta energy: -224.533 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: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2566.731544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.731544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.731544 (E_RNA) where: Base-Base interactions energy: -1817.154 where: short stacking energy: -750.386 Base-Backbone interact. energy: -2.313 local terms energy: -747.264133 where: bonds (distance) C4'-P energy: -120.042 bonds (distance) P-C4' energy: -134.934 flat angles C4'-P-C4' energy: -153.390 flat angles P-C4'-P energy: -105.549 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: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2489.836250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.836250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.836250 (E_RNA) where: Base-Base interactions energy: -1758.767 where: short stacking energy: -758.479 Base-Backbone interact. energy: -0.706 local terms energy: -730.362584 where: bonds (distance) C4'-P energy: -109.790 bonds (distance) P-C4' energy: -139.193 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -97.467 tors. eta vs tors. theta energy: -229.835 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: 5, replica: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2440.045436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.045436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.045436 (E_RNA) where: Base-Base interactions energy: -1692.322 where: short stacking energy: -712.879 Base-Backbone interact. energy: -1.589 local terms energy: -746.133942 where: bonds (distance) C4'-P energy: -139.249 bonds (distance) P-C4' energy: -142.228 flat angles C4'-P-C4' energy: -145.367 flat angles P-C4'-P energy: -91.497 tors. eta vs tors. theta energy: -227.792 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: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2316.981752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.981752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.981752 (E_RNA) where: Base-Base interactions energy: -1664.657 where: short stacking energy: -675.211 Base-Backbone interact. energy: -0.313 local terms energy: -652.011252 where: bonds (distance) C4'-P energy: -100.409 bonds (distance) P-C4' energy: -124.979 flat angles C4'-P-C4' energy: -136.275 flat angles P-C4'-P energy: -84.355 tors. eta vs tors. theta energy: -205.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2175.873105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.873105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.873105 (E_RNA) where: Base-Base interactions energy: -1539.577 where: short stacking energy: -612.505 Base-Backbone interact. energy: -0.767 local terms energy: -635.529246 where: bonds (distance) C4'-P energy: -111.150 bonds (distance) P-C4' energy: -116.486 flat angles C4'-P-C4' energy: -132.343 flat angles P-C4'-P energy: -93.860 tors. eta vs tors. theta energy: -181.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2027.616471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.616471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.616471 (E_RNA) where: Base-Base interactions energy: -1397.147 where: short stacking energy: -570.272 Base-Backbone interact. energy: -1.632 local terms energy: -628.837448 where: bonds (distance) C4'-P energy: -111.839 bonds (distance) P-C4' energy: -125.623 flat angles C4'-P-C4' energy: -123.367 flat angles P-C4'-P energy: -86.194 tors. eta vs tors. theta energy: -181.815 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: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1974.095810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.095810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.095810 (E_RNA) where: Base-Base interactions energy: -1399.449 where: short stacking energy: -561.003 Base-Backbone interact. energy: 0.726 local terms energy: -575.372556 where: bonds (distance) C4'-P energy: -112.068 bonds (distance) P-C4' energy: -114.883 flat angles C4'-P-C4' energy: -129.952 flat angles P-C4'-P energy: -63.306 tors. eta vs tors. theta energy: -155.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -760.934774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.934774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.934774 (E_RNA) where: Base-Base interactions energy: -375.834 where: short stacking energy: -214.839 Base-Backbone interact. energy: 3.425 local terms energy: -388.525149 where: bonds (distance) C4'-P energy: -102.111 bonds (distance) P-C4' energy: -105.806 flat angles C4'-P-C4' energy: -87.448 flat angles P-C4'-P energy: -75.107 tors. eta vs tors. theta energy: -18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2688.908821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.908821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.908821 (E_RNA) where: Base-Base interactions energy: -1927.854 where: short stacking energy: -748.482 Base-Backbone interact. energy: -3.879 local terms energy: -757.174868 where: bonds (distance) C4'-P energy: -132.204 bonds (distance) P-C4' energy: -137.452 flat angles C4'-P-C4' energy: -151.712 flat angles P-C4'-P energy: -113.586 tors. eta vs tors. theta energy: -222.221 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: 2, replica: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2581.982227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.982227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.982227 (E_RNA) where: Base-Base interactions energy: -1838.492 where: short stacking energy: -745.122 Base-Backbone interact. energy: -3.044 local terms energy: -740.445742 where: bonds (distance) C4'-P energy: -110.238 bonds (distance) P-C4' energy: -141.682 flat angles C4'-P-C4' energy: -162.712 flat angles P-C4'-P energy: -103.210 tors. eta vs tors. theta energy: -222.604 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: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2560.466135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.466135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.466135 (E_RNA) where: Base-Base interactions energy: -1810.708 where: short stacking energy: -742.150 Base-Backbone interact. energy: -0.362 local terms energy: -749.396786 where: bonds (distance) C4'-P energy: -130.583 bonds (distance) P-C4' energy: -127.202 flat angles C4'-P-C4' energy: -153.822 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -237.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2454.271915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.271915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.271915 (E_RNA) where: Base-Base interactions energy: -1730.162 where: short stacking energy: -693.077 Base-Backbone interact. energy: -3.136 local terms energy: -720.973898 where: bonds (distance) C4'-P energy: -118.926 bonds (distance) P-C4' energy: -122.562 flat angles C4'-P-C4' energy: -157.354 flat angles P-C4'-P energy: -96.487 tors. eta vs tors. theta energy: -225.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2450.517263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.517263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.517263 (E_RNA) where: Base-Base interactions energy: -1742.866 where: short stacking energy: -722.891 Base-Backbone interact. energy: -5.743 local terms energy: -701.907920 where: bonds (distance) C4'-P energy: -106.326 bonds (distance) P-C4' energy: -118.858 flat angles C4'-P-C4' energy: -149.841 flat angles P-C4'-P energy: -90.849 tors. eta vs tors. theta energy: -236.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2315.035351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.035351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.035351 (E_RNA) where: Base-Base interactions energy: -1627.780 where: short stacking energy: -662.349 Base-Backbone interact. energy: -0.697 local terms energy: -686.558477 where: bonds (distance) C4'-P energy: -145.181 bonds (distance) P-C4' energy: -104.407 flat angles C4'-P-C4' energy: -130.616 flat angles P-C4'-P energy: -97.929 tors. eta vs tors. theta energy: -208.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2157.401545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.401545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.401545 (E_RNA) where: Base-Base interactions energy: -1570.344 where: short stacking energy: -648.563 Base-Backbone interact. energy: 2.657 local terms energy: -589.714649 where: bonds (distance) C4'-P energy: -100.224 bonds (distance) P-C4' energy: -102.327 flat angles C4'-P-C4' energy: -133.471 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: -185.935 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: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -2089.926814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.926814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.926814 (E_RNA) where: Base-Base interactions energy: -1492.613 where: short stacking energy: -579.920 Base-Backbone interact. energy: -3.794 local terms energy: -593.519770 where: bonds (distance) C4'-P energy: -117.179 bonds (distance) P-C4' energy: -97.573 flat angles C4'-P-C4' energy: -127.284 flat angles P-C4'-P energy: -80.031 tors. eta vs tors. theta energy: -171.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1975.988456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.988456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.988456 (E_RNA) where: Base-Base interactions energy: -1396.730 where: short stacking energy: -573.444 Base-Backbone interact. energy: 4.179 local terms energy: -583.437589 where: bonds (distance) C4'-P energy: -102.023 bonds (distance) P-C4' energy: -95.691 flat angles C4'-P-C4' energy: -132.996 flat angles P-C4'-P energy: -83.341 tors. eta vs tors. theta energy: -169.386 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: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -754.370590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.370590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.370590 (E_RNA) where: Base-Base interactions energy: -414.687 where: short stacking energy: -225.431 Base-Backbone interact. energy: 1.702 local terms energy: -341.385733 where: bonds (distance) C4'-P energy: -90.234 bonds (distance) P-C4' energy: -111.350 flat angles C4'-P-C4' energy: -91.117 flat angles P-C4'-P energy: -44.478 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2678.680387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.680387 (E_RNA) where: Base-Base interactions energy: -1946.567 where: short stacking energy: -773.428 Base-Backbone interact. energy: -0.772 local terms energy: -731.341236 where: bonds (distance) C4'-P energy: -119.259 bonds (distance) P-C4' energy: -120.879 flat angles C4'-P-C4' energy: -157.212 flat angles P-C4'-P energy: -106.190 tors. eta vs tors. theta energy: -227.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2564.755894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.755894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.755894 (E_RNA) where: Base-Base interactions energy: -1827.478 where: short stacking energy: -711.878 Base-Backbone interact. energy: -0.093 local terms energy: -737.185420 where: bonds (distance) C4'-P energy: -133.170 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -144.365 flat angles P-C4'-P energy: -98.631 tors. eta vs tors. theta energy: -217.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2583.401043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.401043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.401043 (E_RNA) where: Base-Base interactions energy: -1826.422 where: short stacking energy: -758.403 Base-Backbone interact. energy: -2.221 local terms energy: -754.758462 where: bonds (distance) C4'-P energy: -131.614 bonds (distance) P-C4' energy: -123.356 flat angles C4'-P-C4' energy: -150.933 flat angles P-C4'-P energy: -101.275 tors. eta vs tors. theta energy: -247.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2466.476314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.476314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.476314 (E_RNA) where: Base-Base interactions energy: -1729.177 where: short stacking energy: -723.715 Base-Backbone interact. energy: -0.349 local terms energy: -736.950404 where: bonds (distance) C4'-P energy: -123.911 bonds (distance) P-C4' energy: -132.439 flat angles C4'-P-C4' energy: -156.362 flat angles P-C4'-P energy: -102.273 tors. eta vs tors. theta energy: -221.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2450.526746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.526746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.526746 (E_RNA) where: Base-Base interactions energy: -1749.195 where: short stacking energy: -732.033 Base-Backbone interact. energy: -0.868 local terms energy: -700.463932 where: bonds (distance) C4'-P energy: -121.162 bonds (distance) P-C4' energy: -111.205 flat angles C4'-P-C4' energy: -133.212 flat angles P-C4'-P energy: -96.686 tors. eta vs tors. theta energy: -238.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2304.929843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.929843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.929843 (E_RNA) where: Base-Base interactions energy: -1627.747 where: short stacking energy: -682.942 Base-Backbone interact. energy: -2.845 local terms energy: -674.337999 where: bonds (distance) C4'-P energy: -116.695 bonds (distance) P-C4' energy: -111.305 flat angles C4'-P-C4' energy: -143.458 flat angles P-C4'-P energy: -100.782 tors. eta vs tors. theta energy: -202.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2185.465284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.465284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.465284 (E_RNA) where: Base-Base interactions energy: -1570.267 where: short stacking energy: -613.878 Base-Backbone interact. energy: 3.197 local terms energy: -618.395394 where: bonds (distance) C4'-P energy: -95.168 bonds (distance) P-C4' energy: -119.262 flat angles C4'-P-C4' energy: -138.189 flat angles P-C4'-P energy: -86.211 tors. eta vs tors. theta energy: -179.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -2141.185490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.185490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.185490 (E_RNA) where: Base-Base interactions energy: -1527.787 where: short stacking energy: -609.631 Base-Backbone interact. energy: -1.785 local terms energy: -611.613009 where: bonds (distance) C4'-P energy: -91.626 bonds (distance) P-C4' energy: -117.329 flat angles C4'-P-C4' energy: -136.096 flat angles P-C4'-P energy: -94.034 tors. eta vs tors. theta energy: -172.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1988.806528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.806528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.806528 (E_RNA) where: Base-Base interactions energy: -1421.500 where: short stacking energy: -572.937 Base-Backbone interact. energy: 5.123 local terms energy: -572.429224 where: bonds (distance) C4'-P energy: -113.113 bonds (distance) P-C4' energy: -102.984 flat angles C4'-P-C4' energy: -115.134 flat angles P-C4'-P energy: -74.995 tors. eta vs tors. theta energy: -166.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -754.475379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.475379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.475379 (E_RNA) where: Base-Base interactions energy: -412.556 where: short stacking energy: -223.961 Base-Backbone interact. energy: 1.107 local terms energy: -343.026507 where: bonds (distance) C4'-P energy: -104.852 bonds (distance) P-C4' energy: -110.203 flat angles C4'-P-C4' energy: -80.681 flat angles P-C4'-P energy: -43.733 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2691.266283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.266283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.266283 (E_RNA) where: Base-Base interactions energy: -1924.271 where: short stacking energy: -747.419 Base-Backbone interact. energy: 0.549 local terms energy: -767.544133 where: bonds (distance) C4'-P energy: -144.053 bonds (distance) P-C4' energy: -133.168 flat angles C4'-P-C4' energy: -157.628 flat angles P-C4'-P energy: -110.541 tors. eta vs tors. theta energy: -222.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2646.105609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.105609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.105609 (E_RNA) where: Base-Base interactions energy: -1872.983 where: short stacking energy: -778.831 Base-Backbone interact. energy: -3.403 local terms energy: -769.719053 where: bonds (distance) C4'-P energy: -127.843 bonds (distance) P-C4' energy: -143.431 flat angles C4'-P-C4' energy: -161.532 flat angles P-C4'-P energy: -103.174 tors. eta vs tors. theta energy: -233.739 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: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2524.104688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.104688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.104688 (E_RNA) where: Base-Base interactions energy: -1828.239 where: short stacking energy: -715.754 Base-Backbone interact. energy: 0.369 local terms energy: -696.235090 where: bonds (distance) C4'-P energy: -115.303 bonds (distance) P-C4' energy: -127.177 flat angles C4'-P-C4' energy: -145.640 flat angles P-C4'-P energy: -93.647 tors. eta vs tors. theta energy: -214.468 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: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2487.701767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.701767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.701767 (E_RNA) where: Base-Base interactions energy: -1761.866 where: short stacking energy: -737.159 Base-Backbone interact. energy: -0.428 local terms energy: -725.406846 where: bonds (distance) C4'-P energy: -130.575 bonds (distance) P-C4' energy: -112.335 flat angles C4'-P-C4' energy: -154.336 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -222.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2405.934791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.934791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.934791 (E_RNA) where: Base-Base interactions energy: -1710.424 where: short stacking energy: -697.211 Base-Backbone interact. energy: -2.177 local terms energy: -693.333736 where: bonds (distance) C4'-P energy: -99.800 bonds (distance) P-C4' energy: -107.643 flat angles C4'-P-C4' energy: -158.122 flat angles P-C4'-P energy: -113.487 tors. eta vs tors. theta energy: -214.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2262.388613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.388613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.388613 (E_RNA) where: Base-Base interactions energy: -1587.072 where: short stacking energy: -663.410 Base-Backbone interact. energy: -0.101 local terms energy: -675.215277 where: bonds (distance) C4'-P energy: -112.088 bonds (distance) P-C4' energy: -124.546 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -99.491 tors. eta vs tors. theta energy: -199.623 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: 407 Temperature: 1.200000 Total energy: -2184.699898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.699898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.699898 (E_RNA) where: Base-Base interactions energy: -1538.151 where: short stacking energy: -624.399 Base-Backbone interact. energy: 0.946 local terms energy: -647.494757 where: bonds (distance) C4'-P energy: -120.153 bonds (distance) P-C4' energy: -114.009 flat angles C4'-P-C4' energy: -135.948 flat angles P-C4'-P energy: -91.084 tors. eta vs tors. theta energy: -186.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2123.593086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.593086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.593086 (E_RNA) where: Base-Base interactions energy: -1523.969 where: short stacking energy: -633.329 Base-Backbone interact. energy: -0.327 local terms energy: -599.296994 where: bonds (distance) C4'-P energy: -97.168 bonds (distance) P-C4' energy: -113.089 flat angles C4'-P-C4' energy: -136.776 flat angles P-C4'-P energy: -77.604 tors. eta vs tors. theta energy: -174.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1981.550529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.550529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.550529 (E_RNA) where: Base-Base interactions energy: -1414.745 where: short stacking energy: -584.324 Base-Backbone interact. energy: -0.026 local terms energy: -566.779250 where: bonds (distance) C4'-P energy: -111.289 bonds (distance) P-C4' energy: -97.449 flat angles C4'-P-C4' energy: -129.956 flat angles P-C4'-P energy: -55.593 tors. eta vs tors. theta energy: -172.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -636.249466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.249466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.249466 (E_RNA) where: Base-Base interactions energy: -283.865 where: short stacking energy: -168.481 Base-Backbone interact. energy: -0.069 local terms energy: -352.315691 where: bonds (distance) C4'-P energy: -100.762 bonds (distance) P-C4' energy: -106.731 flat angles C4'-P-C4' energy: -75.887 flat angles P-C4'-P energy: -75.445 tors. eta vs tors. theta energy: 6.510 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: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2681.998802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.998802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.998802 (E_RNA) where: Base-Base interactions energy: -1934.125 where: short stacking energy: -774.188 Base-Backbone interact. energy: 0.625 local terms energy: -748.498044 where: bonds (distance) C4'-P energy: -129.899 bonds (distance) P-C4' energy: -136.992 flat angles C4'-P-C4' energy: -153.440 flat angles P-C4'-P energy: -106.262 tors. eta vs tors. theta energy: -221.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2604.530340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.530340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.530340 (E_RNA) where: Base-Base interactions energy: -1849.548 where: short stacking energy: -748.501 Base-Backbone interact. energy: -0.797 local terms energy: -754.184789 where: bonds (distance) C4'-P energy: -143.624 bonds (distance) P-C4' energy: -131.499 flat angles C4'-P-C4' energy: -155.631 flat angles P-C4'-P energy: -98.538 tors. eta vs tors. theta energy: -224.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2544.725845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.725845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.725845 (E_RNA) where: Base-Base interactions energy: -1824.017 where: short stacking energy: -755.589 Base-Backbone interact. energy: -2.258 local terms energy: -718.450730 where: bonds (distance) C4'-P energy: -112.380 bonds (distance) P-C4' energy: -126.691 flat angles C4'-P-C4' energy: -147.413 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -235.577 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: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2453.170883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.170883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.170883 (E_RNA) where: Base-Base interactions energy: -1747.244 where: short stacking energy: -699.472 Base-Backbone interact. energy: -0.362 local terms energy: -705.564956 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -122.445 flat angles C4'-P-C4' energy: -155.235 flat angles P-C4'-P energy: -110.512 tors. eta vs tors. theta energy: -204.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2441.818910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.818910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.818910 (E_RNA) where: Base-Base interactions energy: -1740.514 where: short stacking energy: -718.487 Base-Backbone interact. energy: -0.587 local terms energy: -700.717558 where: bonds (distance) C4'-P energy: -116.382 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -143.111 flat angles P-C4'-P energy: -97.565 tors. eta vs tors. theta energy: -229.145 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: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2267.672221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.672221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.672221 (E_RNA) where: Base-Base interactions energy: -1619.573 where: short stacking energy: -668.668 Base-Backbone interact. energy: -2.710 local terms energy: -645.388976 where: bonds (distance) C4'-P energy: -115.089 bonds (distance) P-C4' energy: -93.291 flat angles C4'-P-C4' energy: -138.983 flat angles P-C4'-P energy: -96.796 tors. eta vs tors. theta energy: -201.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2189.940532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.940532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.940532 (E_RNA) where: Base-Base interactions energy: -1533.772 where: short stacking energy: -621.842 Base-Backbone interact. energy: -1.232 local terms energy: -654.936591 where: bonds (distance) C4'-P energy: -117.140 bonds (distance) P-C4' energy: -126.620 flat angles C4'-P-C4' energy: -128.851 flat angles P-C4'-P energy: -99.786 tors. eta vs tors. theta energy: -182.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -2059.997310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.997310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.997310 (E_RNA) where: Base-Base interactions energy: -1440.018 where: short stacking energy: -580.604 Base-Backbone interact. energy: 1.416 local terms energy: -621.395095 where: bonds (distance) C4'-P energy: -100.851 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -127.857 flat angles P-C4'-P energy: -90.467 tors. eta vs tors. theta energy: -178.363 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: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1967.632499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.632499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.632499 (E_RNA) where: Base-Base interactions energy: -1432.628 where: short stacking energy: -574.684 Base-Backbone interact. energy: -2.310 local terms energy: -532.694457 where: bonds (distance) C4'-P energy: -73.516 bonds (distance) P-C4' energy: -98.665 flat angles C4'-P-C4' energy: -125.286 flat angles P-C4'-P energy: -75.437 tors. eta vs tors. theta energy: -159.791 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: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -678.168986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.168986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.168986 (E_RNA) where: Base-Base interactions energy: -325.939 where: short stacking energy: -174.569 Base-Backbone interact. energy: 2.611 local terms energy: -354.840677 where: bonds (distance) C4'-P energy: -110.773 bonds (distance) P-C4' energy: -101.152 flat angles C4'-P-C4' energy: -106.979 flat angles P-C4'-P energy: -53.775 tors. eta vs tors. theta energy: 17.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2667.747676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.747676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.747676 (E_RNA) where: Base-Base interactions energy: -1900.500 where: short stacking energy: -777.379 Base-Backbone interact. energy: -4.261 local terms energy: -762.986311 where: bonds (distance) C4'-P energy: -138.077 bonds (distance) P-C4' energy: -131.273 flat angles C4'-P-C4' energy: -165.373 flat angles P-C4'-P energy: -107.590 tors. eta vs tors. theta energy: -220.674 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: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2603.406168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.406168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.406168 (E_RNA) where: Base-Base interactions energy: -1847.708 where: short stacking energy: -783.611 Base-Backbone interact. energy: -1.030 local terms energy: -754.667870 where: bonds (distance) C4'-P energy: -132.396 bonds (distance) P-C4' energy: -131.984 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -100.431 tors. eta vs tors. theta energy: -237.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2570.745447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.745447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.745447 (E_RNA) where: Base-Base interactions energy: -1810.557 where: short stacking energy: -759.755 Base-Backbone interact. energy: -1.192 local terms energy: -758.996546 where: bonds (distance) C4'-P energy: -135.735 bonds (distance) P-C4' energy: -132.943 flat angles C4'-P-C4' energy: -160.334 flat angles P-C4'-P energy: -92.862 tors. eta vs tors. theta energy: -237.123 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: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2463.109872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.109872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.109872 (E_RNA) where: Base-Base interactions energy: -1770.526 where: short stacking energy: -700.683 Base-Backbone interact. energy: -1.168 local terms energy: -691.416692 where: bonds (distance) C4'-P energy: -122.963 bonds (distance) P-C4' energy: -125.644 flat angles C4'-P-C4' energy: -151.203 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -202.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2436.543213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.543213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.543213 (E_RNA) where: Base-Base interactions energy: -1733.459 where: short stacking energy: -680.583 Base-Backbone interact. energy: -4.194 local terms energy: -698.889597 where: bonds (distance) C4'-P energy: -124.293 bonds (distance) P-C4' energy: -105.979 flat angles C4'-P-C4' energy: -148.266 flat angles P-C4'-P energy: -104.132 tors. eta vs tors. theta energy: -216.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2286.512651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.512651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.512651 (E_RNA) where: Base-Base interactions energy: -1605.004 where: short stacking energy: -661.872 Base-Backbone interact. energy: -0.731 local terms energy: -680.777836 where: bonds (distance) C4'-P energy: -114.025 bonds (distance) P-C4' energy: -129.344 flat angles C4'-P-C4' energy: -141.651 flat angles P-C4'-P energy: -84.847 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: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2247.227174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.227174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.227174 (E_RNA) where: Base-Base interactions energy: -1612.598 where: short stacking energy: -654.540 Base-Backbone interact. energy: -3.000 local terms energy: -631.629576 where: bonds (distance) C4'-P energy: -105.585 bonds (distance) P-C4' energy: -110.468 flat angles C4'-P-C4' energy: -131.712 flat angles P-C4'-P energy: -102.045 tors. eta vs tors. theta energy: -181.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2062.917627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.917627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.917627 (E_RNA) where: Base-Base interactions energy: -1461.919 where: short stacking energy: -615.927 Base-Backbone interact. energy: -0.126 local terms energy: -600.872761 where: bonds (distance) C4'-P energy: -116.529 bonds (distance) P-C4' energy: -88.491 flat angles C4'-P-C4' energy: -136.888 flat angles P-C4'-P energy: -88.587 tors. eta vs tors. theta energy: -170.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1969.328217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.328217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.328217 (E_RNA) where: Base-Base interactions energy: -1409.336 where: short stacking energy: -560.949 Base-Backbone interact. energy: 1.662 local terms energy: -561.654087 where: bonds (distance) C4'-P energy: -111.418 bonds (distance) P-C4' energy: -105.093 flat angles C4'-P-C4' energy: -115.355 flat angles P-C4'-P energy: -79.930 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: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -732.065719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.065719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.065719 (E_RNA) where: Base-Base interactions energy: -366.153 where: short stacking energy: -224.092 Base-Backbone interact. energy: -1.344 local terms energy: -364.568861 where: bonds (distance) C4'-P energy: -94.009 bonds (distance) P-C4' energy: -110.900 flat angles C4'-P-C4' energy: -96.382 flat angles P-C4'-P energy: -56.914 tors. eta vs tors. theta energy: -6.364 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: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2666.138810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.138810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.138810 (E_RNA) where: Base-Base interactions energy: -1882.752 where: short stacking energy: -777.682 Base-Backbone interact. energy: -0.803 local terms energy: -782.583024 where: bonds (distance) C4'-P energy: -128.864 bonds (distance) P-C4' energy: -137.208 flat angles C4'-P-C4' energy: -165.570 flat angles P-C4'-P energy: -108.956 tors. eta vs tors. theta energy: -241.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2617.552041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.552041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.552041 (E_RNA) where: Base-Base interactions energy: -1880.241 where: short stacking energy: -749.624 Base-Backbone interact. energy: -0.816 local terms energy: -736.495211 where: bonds (distance) C4'-P energy: -125.498 bonds (distance) P-C4' energy: -127.180 flat angles C4'-P-C4' energy: -156.280 flat angles P-C4'-P energy: -105.129 tors. eta vs tors. theta energy: -222.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2554.853841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.853841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.853841 (E_RNA) where: Base-Base interactions energy: -1820.969 where: short stacking energy: -756.915 Base-Backbone interact. energy: -2.063 local terms energy: -731.822597 where: bonds (distance) C4'-P energy: -115.059 bonds (distance) P-C4' energy: -112.752 flat angles C4'-P-C4' energy: -154.158 flat angles P-C4'-P energy: -105.182 tors. eta vs tors. theta energy: -244.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2463.816210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.816210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.816210 (E_RNA) where: Base-Base interactions energy: -1782.992 where: short stacking energy: -718.711 Base-Backbone interact. energy: -3.343 local terms energy: -677.481909 where: bonds (distance) C4'-P energy: -107.539 bonds (distance) P-C4' energy: -117.656 flat angles C4'-P-C4' energy: -142.775 flat angles P-C4'-P energy: -90.625 tors. eta vs tors. theta energy: -218.887 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: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2416.725257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.725257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.725257 (E_RNA) where: Base-Base interactions energy: -1708.528 where: short stacking energy: -694.237 Base-Backbone interact. energy: -0.724 local terms energy: -707.472814 where: bonds (distance) C4'-P energy: -117.122 bonds (distance) P-C4' energy: -123.057 flat angles C4'-P-C4' energy: -141.123 flat angles P-C4'-P energy: -105.714 tors. eta vs tors. theta energy: -220.457 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: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2299.375680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.375680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.375680 (E_RNA) where: Base-Base interactions energy: -1633.736 where: short stacking energy: -654.367 Base-Backbone interact. energy: 0.356 local terms energy: -665.996047 where: bonds (distance) C4'-P energy: -103.806 bonds (distance) P-C4' energy: -114.109 flat angles C4'-P-C4' energy: -145.296 flat angles P-C4'-P energy: -96.182 tors. eta vs tors. theta energy: -206.603 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: 1 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2239.161426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.161426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.161426 (E_RNA) where: Base-Base interactions energy: -1592.768 where: short stacking energy: -645.979 Base-Backbone interact. energy: 0.001 local terms energy: -646.394440 where: bonds (distance) C4'-P energy: -100.955 bonds (distance) P-C4' energy: -125.853 flat angles C4'-P-C4' energy: -140.774 flat angles P-C4'-P energy: -77.605 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: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -2012.908665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.908665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.908665 (E_RNA) where: Base-Base interactions energy: -1409.187 where: short stacking energy: -563.425 Base-Backbone interact. energy: -2.487 local terms energy: -601.235136 where: bonds (distance) C4'-P energy: -108.129 bonds (distance) P-C4' energy: -105.468 flat angles C4'-P-C4' energy: -134.332 flat angles P-C4'-P energy: -84.707 tors. eta vs tors. theta energy: -168.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1961.818102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.818102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.818102 (E_RNA) where: Base-Base interactions energy: -1380.733 where: short stacking energy: -558.934 Base-Backbone interact. energy: -2.553 local terms energy: -578.532092 where: bonds (distance) C4'-P energy: -94.389 bonds (distance) P-C4' energy: -104.735 flat angles C4'-P-C4' energy: -124.490 flat angles P-C4'-P energy: -86.992 tors. eta vs tors. theta energy: -167.926 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: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -780.681729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.681729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.681729 (E_RNA) where: Base-Base interactions energy: -424.809 where: short stacking energy: -207.633 Base-Backbone interact. energy: 5.152 local terms energy: -361.024657 where: bonds (distance) C4'-P energy: -101.840 bonds (distance) P-C4' energy: -120.061 flat angles C4'-P-C4' energy: -90.620 flat angles P-C4'-P energy: -67.193 tors. eta vs tors. theta energy: 18.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2644.583572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.583572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.583572 (E_RNA) where: Base-Base interactions energy: -1872.298 where: short stacking energy: -769.999 Base-Backbone interact. energy: 1.675 local terms energy: -773.961208 where: bonds (distance) C4'-P energy: -133.945 bonds (distance) P-C4' energy: -136.458 flat angles C4'-P-C4' energy: -156.989 flat angles P-C4'-P energy: -113.244 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: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2622.418257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.418257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.418257 (E_RNA) where: Base-Base interactions energy: -1883.812 where: short stacking energy: -743.587 Base-Backbone interact. energy: 1.016 local terms energy: -739.622282 where: bonds (distance) C4'-P energy: -129.700 bonds (distance) P-C4' energy: -129.506 flat angles C4'-P-C4' energy: -146.751 flat angles P-C4'-P energy: -110.093 tors. eta vs tors. theta energy: -223.571 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: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2554.368107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.368107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.368107 (E_RNA) where: Base-Base interactions energy: -1798.725 where: short stacking energy: -764.621 Base-Backbone interact. energy: 0.173 local terms energy: -755.816443 where: bonds (distance) C4'-P energy: -129.721 bonds (distance) P-C4' energy: -134.125 flat angles C4'-P-C4' energy: -149.208 flat angles P-C4'-P energy: -105.060 tors. eta vs tors. theta energy: -237.702 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2411.336814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.336814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.336814 (E_RNA) where: Base-Base interactions energy: -1700.298 where: short stacking energy: -703.253 Base-Backbone interact. energy: -0.392 local terms energy: -710.647072 where: bonds (distance) C4'-P energy: -106.504 bonds (distance) P-C4' energy: -126.670 flat angles C4'-P-C4' energy: -151.516 flat angles P-C4'-P energy: -112.306 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: 5, replica: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2400.684156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.684156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.684156 (E_RNA) where: Base-Base interactions energy: -1682.641 where: short stacking energy: -694.424 Base-Backbone interact. energy: 4.065 local terms energy: -722.108004 where: bonds (distance) C4'-P energy: -125.743 bonds (distance) P-C4' energy: -113.353 flat angles C4'-P-C4' energy: -149.192 flat angles P-C4'-P energy: -111.205 tors. eta vs tors. theta energy: -222.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2335.145289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.145289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.145289 (E_RNA) where: Base-Base interactions energy: -1670.475 where: short stacking energy: -676.326 Base-Backbone interact. energy: -0.168 local terms energy: -664.502713 where: bonds (distance) C4'-P energy: -103.859 bonds (distance) P-C4' energy: -117.685 flat angles C4'-P-C4' energy: -148.688 flat angles P-C4'-P energy: -84.872 tors. eta vs tors. theta energy: -209.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2143.521530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.521530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.521530 (E_RNA) where: Base-Base interactions energy: -1546.504 where: short stacking energy: -621.064 Base-Backbone interact. energy: -0.453 local terms energy: -596.564899 where: bonds (distance) C4'-P energy: -93.740 bonds (distance) P-C4' energy: -120.376 flat angles C4'-P-C4' energy: -122.381 flat angles P-C4'-P energy: -83.604 tors. eta vs tors. theta energy: -176.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2013.435343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.435343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.435343 (E_RNA) where: Base-Base interactions energy: -1428.260 where: short stacking energy: -591.098 Base-Backbone interact. energy: 0.559 local terms energy: -585.734608 where: bonds (distance) C4'-P energy: -87.874 bonds (distance) P-C4' energy: -116.495 flat angles C4'-P-C4' energy: -127.549 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -162.130 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: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1960.759926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.759926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.759926 (E_RNA) where: Base-Base interactions energy: -1359.673 where: short stacking energy: -584.044 Base-Backbone interact. energy: -1.578 local terms energy: -599.508634 where: bonds (distance) C4'-P energy: -112.873 bonds (distance) P-C4' energy: -95.180 flat angles C4'-P-C4' energy: -121.876 flat angles P-C4'-P energy: -87.725 tors. eta vs tors. theta energy: -181.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -809.709815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.709815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.709815 (E_RNA) where: Base-Base interactions energy: -441.618 where: short stacking energy: -243.725 Base-Backbone interact. energy: 4.100 local terms energy: -372.192342 where: bonds (distance) C4'-P energy: -77.296 bonds (distance) P-C4' energy: -114.909 flat angles C4'-P-C4' energy: -96.606 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -12.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2688.537347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.537347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.537347 (E_RNA) where: Base-Base interactions energy: -1927.143 where: short stacking energy: -782.858 Base-Backbone interact. energy: 0.770 local terms energy: -762.165162 where: bonds (distance) C4'-P energy: -115.918 bonds (distance) P-C4' energy: -142.233 flat angles C4'-P-C4' energy: -158.680 flat angles P-C4'-P energy: -113.336 tors. eta vs tors. theta energy: -231.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2618.600088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.600088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.600088 (E_RNA) where: Base-Base interactions energy: -1858.213 where: short stacking energy: -762.925 Base-Backbone interact. energy: -0.987 local terms energy: -759.399582 where: bonds (distance) C4'-P energy: -132.421 bonds (distance) P-C4' energy: -138.233 flat angles C4'-P-C4' energy: -155.996 flat angles P-C4'-P energy: -101.282 tors. eta vs tors. theta energy: -231.468 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: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2531.764898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.764898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.764898 (E_RNA) where: Base-Base interactions energy: -1767.456 where: short stacking energy: -745.721 Base-Backbone interact. energy: -1.180 local terms energy: -763.128573 where: bonds (distance) C4'-P energy: -123.308 bonds (distance) P-C4' energy: -139.463 flat angles C4'-P-C4' energy: -159.596 flat angles P-C4'-P energy: -100.436 tors. eta vs tors. theta energy: -240.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2442.691866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.691866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.691866 (E_RNA) where: Base-Base interactions energy: -1752.213 where: short stacking energy: -705.172 Base-Backbone interact. energy: -1.908 local terms energy: -688.571024 where: bonds (distance) C4'-P energy: -121.379 bonds (distance) P-C4' energy: -121.816 flat angles C4'-P-C4' energy: -151.423 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -207.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2381.597580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.597580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.597580 (E_RNA) where: Base-Base interactions energy: -1699.262 where: short stacking energy: -681.170 Base-Backbone interact. energy: -1.189 local terms energy: -681.146045 where: bonds (distance) C4'-P energy: -120.652 bonds (distance) P-C4' energy: -108.256 flat angles C4'-P-C4' energy: -138.317 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -212.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2351.794665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.794665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.794665 (E_RNA) where: Base-Base interactions energy: -1675.205 where: short stacking energy: -680.682 Base-Backbone interact. energy: 2.636 local terms energy: -679.225889 where: bonds (distance) C4'-P energy: -98.823 bonds (distance) P-C4' energy: -123.761 flat angles C4'-P-C4' energy: -144.219 flat angles P-C4'-P energy: -96.564 tors. eta vs tors. theta energy: -215.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2206.164488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.164488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.164488 (E_RNA) where: Base-Base interactions energy: -1599.920 where: short stacking energy: -648.519 Base-Backbone interact. energy: -0.621 local terms energy: -605.623247 where: bonds (distance) C4'-P energy: -99.090 bonds (distance) P-C4' energy: -96.339 flat angles C4'-P-C4' energy: -129.123 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -188.134 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: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -2017.468522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.468522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.468522 (E_RNA) where: Base-Base interactions energy: -1436.212 where: short stacking energy: -574.480 Base-Backbone interact. energy: -2.156 local terms energy: -579.100590 where: bonds (distance) C4'-P energy: -101.503 bonds (distance) P-C4' energy: -104.263 flat angles C4'-P-C4' energy: -125.058 flat angles P-C4'-P energy: -83.981 tors. eta vs tors. theta energy: -164.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1988.373084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.373084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.373084 (E_RNA) where: Base-Base interactions energy: -1414.000 where: short stacking energy: -582.882 Base-Backbone interact. energy: -1.453 local terms energy: -572.920224 where: bonds (distance) C4'-P energy: -82.687 bonds (distance) P-C4' energy: -119.824 flat angles C4'-P-C4' energy: -139.376 flat angles P-C4'-P energy: -72.843 tors. eta vs tors. theta energy: -158.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -840.079925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.079925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.079925 (E_RNA) where: Base-Base interactions energy: -475.795 where: short stacking energy: -238.350 Base-Backbone interact. energy: -0.174 local terms energy: -364.110122 where: bonds (distance) C4'-P energy: -100.907 bonds (distance) P-C4' energy: -116.678 flat angles C4'-P-C4' energy: -94.665 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2692.712908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.712908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.712908 (E_RNA) where: Base-Base interactions energy: -1913.076 where: short stacking energy: -770.391 Base-Backbone interact. energy: -1.930 local terms energy: -777.707014 where: bonds (distance) C4'-P energy: -136.172 bonds (distance) P-C4' energy: -132.452 flat angles C4'-P-C4' energy: -164.077 flat angles P-C4'-P energy: -119.814 tors. eta vs tors. theta energy: -225.192 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: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2612.456410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.456410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.456410 (E_RNA) where: Base-Base interactions energy: -1869.926 where: short stacking energy: -764.569 Base-Backbone interact. energy: -2.090 local terms energy: -740.440388 where: bonds (distance) C4'-P energy: -130.126 bonds (distance) P-C4' energy: -107.969 flat angles C4'-P-C4' energy: -161.247 flat angles P-C4'-P energy: -112.088 tors. eta vs tors. theta energy: -229.010 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: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2530.604343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.604343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.604343 (E_RNA) where: Base-Base interactions energy: -1783.388 where: short stacking energy: -739.049 Base-Backbone interact. energy: -1.497 local terms energy: -745.719479 where: bonds (distance) C4'-P energy: -120.674 bonds (distance) P-C4' energy: -130.849 flat angles C4'-P-C4' energy: -155.434 flat angles P-C4'-P energy: -111.328 tors. eta vs tors. theta energy: -227.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2414.589567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.589567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.589567 (E_RNA) where: Base-Base interactions energy: -1718.033 where: short stacking energy: -705.264 Base-Backbone interact. energy: 0.209 local terms energy: -696.765444 where: bonds (distance) C4'-P energy: -113.914 bonds (distance) P-C4' energy: -117.502 flat angles C4'-P-C4' energy: -152.831 flat angles P-C4'-P energy: -95.808 tors. eta vs tors. theta energy: -216.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2429.455553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.455553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.455553 (E_RNA) where: Base-Base interactions energy: -1729.665 where: short stacking energy: -719.739 Base-Backbone interact. energy: -3.222 local terms energy: -696.567637 where: bonds (distance) C4'-P energy: -113.384 bonds (distance) P-C4' energy: -121.631 flat angles C4'-P-C4' energy: -147.485 flat angles P-C4'-P energy: -93.101 tors. eta vs tors. theta energy: -220.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2347.633728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.633728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.633728 (E_RNA) where: Base-Base interactions energy: -1659.157 where: short stacking energy: -685.469 Base-Backbone interact. energy: -1.744 local terms energy: -686.732907 where: bonds (distance) C4'-P energy: -133.061 bonds (distance) P-C4' energy: -127.674 flat angles C4'-P-C4' energy: -131.770 flat angles P-C4'-P energy: -81.344 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: 7, replica: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2191.678632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.678632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.678632 (E_RNA) where: Base-Base interactions energy: -1528.946 where: short stacking energy: -606.626 Base-Backbone interact. energy: -1.214 local terms energy: -661.518685 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -121.402 flat angles C4'-P-C4' energy: -136.668 flat angles P-C4'-P energy: -93.758 tors. eta vs tors. theta energy: -182.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2026.681344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.681344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.681344 (E_RNA) where: Base-Base interactions energy: -1429.658 where: short stacking energy: -568.933 Base-Backbone interact. energy: -1.456 local terms energy: -595.567875 where: bonds (distance) C4'-P energy: -96.401 bonds (distance) P-C4' energy: -106.901 flat angles C4'-P-C4' energy: -137.815 flat angles P-C4'-P energy: -94.572 tors. eta vs tors. theta energy: -159.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1973.633996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.633996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.633996 (E_RNA) where: Base-Base interactions energy: -1401.664 where: short stacking energy: -566.923 Base-Backbone interact. energy: 0.069 local terms energy: -572.039244 where: bonds (distance) C4'-P energy: -100.018 bonds (distance) P-C4' energy: -112.461 flat angles C4'-P-C4' energy: -115.219 flat angles P-C4'-P energy: -73.654 tors. eta vs tors. theta energy: -170.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -849.669472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.669472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.669472 (E_RNA) where: Base-Base interactions energy: -482.704 where: short stacking energy: -244.976 Base-Backbone interact. energy: 2.808 local terms energy: -369.773853 where: bonds (distance) C4'-P energy: -91.020 bonds (distance) P-C4' energy: -99.962 flat angles C4'-P-C4' energy: -103.813 flat angles P-C4'-P energy: -59.979 tors. eta vs tors. theta energy: -15.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2696.984728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.984728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.984728 (E_RNA) where: Base-Base interactions energy: -1936.498 where: short stacking energy: -762.191 Base-Backbone interact. energy: 1.043 local terms energy: -761.529571 where: bonds (distance) C4'-P energy: -134.916 bonds (distance) P-C4' energy: -137.260 flat angles C4'-P-C4' energy: -160.148 flat angles P-C4'-P energy: -105.623 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: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2612.349736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.349736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.349736 (E_RNA) where: Base-Base interactions energy: -1841.037 where: short stacking energy: -757.913 Base-Backbone interact. energy: 0.501 local terms energy: -771.813311 where: bonds (distance) C4'-P energy: -132.539 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -163.686 flat angles P-C4'-P energy: -110.494 tors. eta vs tors. theta energy: -225.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2557.800821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.800821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.800821 (E_RNA) where: Base-Base interactions energy: -1811.647 where: short stacking energy: -747.026 Base-Backbone interact. energy: -1.641 local terms energy: -744.513157 where: bonds (distance) C4'-P energy: -134.408 bonds (distance) P-C4' energy: -118.725 flat angles C4'-P-C4' energy: -152.606 flat angles P-C4'-P energy: -108.779 tors. eta vs tors. theta energy: -229.995 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2433.814653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.814653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.814653 (E_RNA) where: Base-Base interactions energy: -1715.505 where: short stacking energy: -701.497 Base-Backbone interact. energy: -2.298 local terms energy: -716.011365 where: bonds (distance) C4'-P energy: -119.521 bonds (distance) P-C4' energy: -128.493 flat angles C4'-P-C4' energy: -150.569 flat angles P-C4'-P energy: -94.439 tors. eta vs tors. theta energy: -222.989 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: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2378.925533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.925533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.925533 (E_RNA) where: Base-Base interactions energy: -1685.325 where: short stacking energy: -705.963 Base-Backbone interact. energy: 1.293 local terms energy: -694.893786 where: bonds (distance) C4'-P energy: -109.790 bonds (distance) P-C4' energy: -123.504 flat angles C4'-P-C4' energy: -157.746 flat angles P-C4'-P energy: -86.577 tors. eta vs tors. theta energy: -217.277 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: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2380.396561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.396561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.396561 (E_RNA) where: Base-Base interactions energy: -1699.763 where: short stacking energy: -713.054 Base-Backbone interact. energy: -1.128 local terms energy: -679.505830 where: bonds (distance) C4'-P energy: -112.524 bonds (distance) P-C4' energy: -121.831 flat angles C4'-P-C4' energy: -135.878 flat angles P-C4'-P energy: -95.772 tors. eta vs tors. theta energy: -213.501 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: 1 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2208.588877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.588877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.588877 (E_RNA) where: Base-Base interactions energy: -1583.279 where: short stacking energy: -643.832 Base-Backbone interact. energy: -0.753 local terms energy: -624.556194 where: bonds (distance) C4'-P energy: -103.715 bonds (distance) P-C4' energy: -118.095 flat angles C4'-P-C4' energy: -131.313 flat angles P-C4'-P energy: -82.337 tors. eta vs tors. theta energy: -189.097 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: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -2032.258174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.258174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.258174 (E_RNA) where: Base-Base interactions energy: -1425.899 where: short stacking energy: -573.364 Base-Backbone interact. energy: -1.655 local terms energy: -604.704550 where: bonds (distance) C4'-P energy: -113.124 bonds (distance) P-C4' energy: -113.507 flat angles C4'-P-C4' energy: -138.237 flat angles P-C4'-P energy: -84.512 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: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -2002.793973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.793973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.793973 (E_RNA) where: Base-Base interactions energy: -1409.297 where: short stacking energy: -571.207 Base-Backbone interact. energy: 8.275 local terms energy: -601.771308 where: bonds (distance) C4'-P energy: -103.573 bonds (distance) P-C4' energy: -117.993 flat angles C4'-P-C4' energy: -127.344 flat angles P-C4'-P energy: -80.585 tors. eta vs tors. theta energy: -172.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -819.568889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.568889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.568889 (E_RNA) where: Base-Base interactions energy: -434.170 where: short stacking energy: -230.354 Base-Backbone interact. energy: 0.429 local terms energy: -385.828180 where: bonds (distance) C4'-P energy: -108.725 bonds (distance) P-C4' energy: -111.219 flat angles C4'-P-C4' energy: -87.057 flat angles P-C4'-P energy: -57.789 tors. eta vs tors. theta energy: -21.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2703.463563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.463563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.463563 (E_RNA) where: Base-Base interactions energy: -1947.112 where: short stacking energy: -783.917 Base-Backbone interact. energy: -2.644 local terms energy: -753.707292 where: bonds (distance) C4'-P energy: -130.885 bonds (distance) P-C4' energy: -125.640 flat angles C4'-P-C4' energy: -158.134 flat angles P-C4'-P energy: -110.702 tors. eta vs tors. theta energy: -228.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2595.368601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.368601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.368601 (E_RNA) where: Base-Base interactions energy: -1838.257 where: short stacking energy: -757.546 Base-Backbone interact. energy: -2.311 local terms energy: -754.800002 where: bonds (distance) C4'-P energy: -121.678 bonds (distance) P-C4' energy: -128.835 flat angles C4'-P-C4' energy: -161.753 flat angles P-C4'-P energy: -104.552 tors. eta vs tors. theta energy: -237.982 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: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2581.792320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.792320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.792320 (E_RNA) where: Base-Base interactions energy: -1838.807 where: short stacking energy: -768.775 Base-Backbone interact. energy: -1.955 local terms energy: -741.031057 where: bonds (distance) C4'-P energy: -107.661 bonds (distance) P-C4' energy: -126.678 flat angles C4'-P-C4' energy: -163.078 flat angles P-C4'-P energy: -105.099 tors. eta vs tors. theta energy: -238.517 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: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2420.766345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.766345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.766345 (E_RNA) where: Base-Base interactions energy: -1724.123 where: short stacking energy: -694.339 Base-Backbone interact. energy: -1.662 local terms energy: -694.981159 where: bonds (distance) C4'-P energy: -118.301 bonds (distance) P-C4' energy: -127.448 flat angles C4'-P-C4' energy: -132.307 flat angles P-C4'-P energy: -106.061 tors. eta vs tors. theta energy: -210.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2390.269375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.269375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.269375 (E_RNA) where: Base-Base interactions energy: -1670.801 where: short stacking energy: -690.093 Base-Backbone interact. energy: -0.767 local terms energy: -718.701566 where: bonds (distance) C4'-P energy: -126.431 bonds (distance) P-C4' energy: -131.672 flat angles C4'-P-C4' energy: -144.018 flat angles P-C4'-P energy: -98.115 tors. eta vs tors. theta energy: -218.466 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: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2372.790396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.790396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.790396 (E_RNA) where: Base-Base interactions energy: -1696.061 where: short stacking energy: -690.151 Base-Backbone interact. energy: 4.819 local terms energy: -681.547464 where: bonds (distance) C4'-P energy: -115.090 bonds (distance) P-C4' energy: -122.698 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -86.111 tors. eta vs tors. theta energy: -222.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2182.098747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.098747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.098747 (E_RNA) where: Base-Base interactions energy: -1548.285 where: short stacking energy: -638.353 Base-Backbone interact. energy: -1.169 local terms energy: -632.645467 where: bonds (distance) C4'-P energy: -111.746 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -136.014 flat angles P-C4'-P energy: -82.758 tors. eta vs tors. theta energy: -188.141 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: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -2082.331832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.331832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.331832 (E_RNA) where: Base-Base interactions energy: -1471.778 where: short stacking energy: -633.576 Base-Backbone interact. energy: -1.442 local terms energy: -609.112485 where: bonds (distance) C4'-P energy: -105.688 bonds (distance) P-C4' energy: -84.040 flat angles C4'-P-C4' energy: -133.827 flat angles P-C4'-P energy: -87.067 tors. eta vs tors. theta energy: -198.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1968.457692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.457692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.457692 (E_RNA) where: Base-Base interactions energy: -1393.245 where: short stacking energy: -553.530 Base-Backbone interact. energy: -1.807 local terms energy: -573.406409 where: bonds (distance) C4'-P energy: -118.657 bonds (distance) P-C4' energy: -110.378 flat angles C4'-P-C4' energy: -124.148 flat angles P-C4'-P energy: -76.212 tors. eta vs tors. theta energy: -144.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -810.779251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.779251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.779251 (E_RNA) where: Base-Base interactions energy: -441.292 where: short stacking energy: -258.046 Base-Backbone interact. energy: 0.405 local terms energy: -369.891873 where: bonds (distance) C4'-P energy: -118.926 bonds (distance) P-C4' energy: -108.366 flat angles C4'-P-C4' energy: -83.760 flat angles P-C4'-P energy: -52.734 tors. eta vs tors. theta energy: -6.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2689.610746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.610746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.610746 (E_RNA) where: Base-Base interactions energy: -1919.848 where: short stacking energy: -776.998 Base-Backbone interact. energy: -1.215 local terms energy: -768.547559 where: bonds (distance) C4'-P energy: -140.515 bonds (distance) P-C4' energy: -131.144 flat angles C4'-P-C4' energy: -161.099 flat angles P-C4'-P energy: -107.026 tors. eta vs tors. theta energy: -228.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2584.567704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.567704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.567704 (E_RNA) where: Base-Base interactions energy: -1811.901 where: short stacking energy: -752.378 Base-Backbone interact. energy: -1.999 local terms energy: -770.668092 where: bonds (distance) C4'-P energy: -130.867 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -161.884 flat angles P-C4'-P energy: -107.372 tors. eta vs tors. theta energy: -238.610 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: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2452.375681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.375681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.375681 (E_RNA) where: Base-Base interactions energy: -1746.492 where: short stacking energy: -714.530 Base-Backbone interact. energy: -0.455 local terms energy: -705.428673 where: bonds (distance) C4'-P energy: -132.066 bonds (distance) P-C4' energy: -128.981 flat angles C4'-P-C4' energy: -145.583 flat angles P-C4'-P energy: -86.918 tors. eta vs tors. theta energy: -211.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2510.750824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.750824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.750824 (E_RNA) where: Base-Base interactions energy: -1795.258 where: short stacking energy: -740.864 Base-Backbone interact. energy: 1.811 local terms energy: -717.303756 where: bonds (distance) C4'-P energy: -121.140 bonds (distance) P-C4' energy: -109.124 flat angles C4'-P-C4' energy: -150.286 flat angles P-C4'-P energy: -110.470 tors. eta vs tors. theta energy: -226.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2439.611493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.611493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.611493 (E_RNA) where: Base-Base interactions energy: -1740.981 where: short stacking energy: -698.904 Base-Backbone interact. energy: -0.311 local terms energy: -698.320113 where: bonds (distance) C4'-P energy: -123.630 bonds (distance) P-C4' energy: -116.825 flat angles C4'-P-C4' energy: -139.995 flat angles P-C4'-P energy: -105.132 tors. eta vs tors. theta energy: -212.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2333.917736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.917736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.917736 (E_RNA) where: Base-Base interactions energy: -1678.213 where: short stacking energy: -686.306 Base-Backbone interact. energy: 0.288 local terms energy: -655.992500 where: bonds (distance) C4'-P energy: -115.956 bonds (distance) P-C4' energy: -118.130 flat angles C4'-P-C4' energy: -121.783 flat angles P-C4'-P energy: -88.544 tors. eta vs tors. theta energy: -211.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2214.426407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.426407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.426407 (E_RNA) where: Base-Base interactions energy: -1579.500 where: short stacking energy: -644.245 Base-Backbone interact. energy: -2.030 local terms energy: -632.896351 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -94.597 flat angles C4'-P-C4' energy: -130.400 flat angles P-C4'-P energy: -108.493 tors. eta vs tors. theta energy: -187.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -2028.740905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.740905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.740905 (E_RNA) where: Base-Base interactions energy: -1419.384 where: short stacking energy: -575.354 Base-Backbone interact. energy: -1.737 local terms energy: -607.620698 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -110.541 flat angles C4'-P-C4' energy: -123.780 flat angles P-C4'-P energy: -85.809 tors. eta vs tors. theta energy: -173.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -2008.781784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.781784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.781784 (E_RNA) where: Base-Base interactions energy: -1403.241 where: short stacking energy: -558.061 Base-Backbone interact. energy: -2.442 local terms energy: -603.099204 where: bonds (distance) C4'-P energy: -112.599 bonds (distance) P-C4' energy: -110.390 flat angles C4'-P-C4' energy: -140.818 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -158.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -853.137635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.137635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.137635 (E_RNA) where: Base-Base interactions energy: -488.672 where: short stacking energy: -251.349 Base-Backbone interact. energy: -1.593 local terms energy: -362.872629 where: bonds (distance) C4'-P energy: -87.151 bonds (distance) P-C4' energy: -97.370 flat angles C4'-P-C4' energy: -100.354 flat angles P-C4'-P energy: -57.283 tors. eta vs tors. theta energy: -20.716 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: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2699.345770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.345770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.345770 (E_RNA) where: Base-Base interactions energy: -1926.062 where: short stacking energy: -775.577 Base-Backbone interact. energy: -1.164 local terms energy: -772.120432 where: bonds (distance) C4'-P energy: -145.754 bonds (distance) P-C4' energy: -127.663 flat angles C4'-P-C4' energy: -155.922 flat angles P-C4'-P energy: -111.038 tors. eta vs tors. theta energy: -231.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2590.816308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.816308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.816308 (E_RNA) where: Base-Base interactions energy: -1828.778 where: short stacking energy: -753.337 Base-Backbone interact. energy: 0.555 local terms energy: -762.593694 where: bonds (distance) C4'-P energy: -133.208 bonds (distance) P-C4' energy: -134.490 flat angles C4'-P-C4' energy: -147.725 flat angles P-C4'-P energy: -112.089 tors. eta vs tors. theta energy: -235.082 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: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2435.334948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.334948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.334948 (E_RNA) where: Base-Base interactions energy: -1734.906 where: short stacking energy: -697.769 Base-Backbone interact. energy: 0.442 local terms energy: -700.871022 where: bonds (distance) C4'-P energy: -124.605 bonds (distance) P-C4' energy: -116.082 flat angles C4'-P-C4' energy: -146.779 flat angles P-C4'-P energy: -108.146 tors. eta vs tors. theta energy: -205.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2486.966883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.966883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.966883 (E_RNA) where: Base-Base interactions energy: -1772.334 where: short stacking energy: -748.020 Base-Backbone interact. energy: -0.449 local terms energy: -714.184689 where: bonds (distance) C4'-P energy: -115.193 bonds (distance) P-C4' energy: -121.281 flat angles C4'-P-C4' energy: -153.242 flat angles P-C4'-P energy: -92.098 tors. eta vs tors. theta energy: -232.371 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: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2385.479179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.479179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.479179 (E_RNA) where: Base-Base interactions energy: -1690.020 where: short stacking energy: -679.493 Base-Backbone interact. energy: -1.504 local terms energy: -693.955199 where: bonds (distance) C4'-P energy: -113.953 bonds (distance) P-C4' energy: -106.937 flat angles C4'-P-C4' energy: -156.045 flat angles P-C4'-P energy: -103.586 tors. eta vs tors. theta energy: -213.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2300.808188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.808188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.808188 (E_RNA) where: Base-Base interactions energy: -1614.216 where: short stacking energy: -647.920 Base-Backbone interact. energy: -1.956 local terms energy: -684.636452 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -130.497 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -103.992 tors. eta vs tors. theta energy: -202.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2231.521517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.521517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.521517 (E_RNA) where: Base-Base interactions energy: -1617.853 where: short stacking energy: -649.462 Base-Backbone interact. energy: -1.785 local terms energy: -611.883427 where: bonds (distance) C4'-P energy: -86.519 bonds (distance) P-C4' energy: -106.598 flat angles C4'-P-C4' energy: -136.346 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -201.898 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: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -2046.876544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.876544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.876544 (E_RNA) where: Base-Base interactions energy: -1452.773 where: short stacking energy: -617.493 Base-Backbone interact. energy: -1.514 local terms energy: -592.589778 where: bonds (distance) C4'-P energy: -107.408 bonds (distance) P-C4' energy: -101.295 flat angles C4'-P-C4' energy: -132.503 flat angles P-C4'-P energy: -73.379 tors. eta vs tors. theta energy: -178.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -2018.055133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.055133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.055133 (E_RNA) where: Base-Base interactions energy: -1430.432 where: short stacking energy: -586.346 Base-Backbone interact. energy: -2.537 local terms energy: -585.086063 where: bonds (distance) C4'-P energy: -104.506 bonds (distance) P-C4' energy: -111.503 flat angles C4'-P-C4' energy: -127.010 flat angles P-C4'-P energy: -77.861 tors. eta vs tors. theta energy: -164.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -834.516048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.516048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.516048 (E_RNA) where: Base-Base interactions energy: -445.608 where: short stacking energy: -237.818 Base-Backbone interact. energy: 3.786 local terms energy: -392.694290 where: bonds (distance) C4'-P energy: -109.035 bonds (distance) P-C4' energy: -120.711 flat angles C4'-P-C4' energy: -93.625 flat angles P-C4'-P energy: -55.938 tors. eta vs tors. theta energy: -13.385 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: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2707.947207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.947207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.947207 (E_RNA) where: Base-Base interactions energy: -1937.800 where: short stacking energy: -776.733 Base-Backbone interact. energy: 0.237 local terms energy: -770.384048 where: bonds (distance) C4'-P energy: -145.369 bonds (distance) P-C4' energy: -135.089 flat angles C4'-P-C4' energy: -161.866 flat angles P-C4'-P energy: -99.569 tors. eta vs tors. theta energy: -228.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2587.006233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.006233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.006233 (E_RNA) where: Base-Base interactions energy: -1835.431 where: short stacking energy: -738.440 Base-Backbone interact. energy: -3.330 local terms energy: -748.245713 where: bonds (distance) C4'-P energy: -123.814 bonds (distance) P-C4' energy: -137.679 flat angles C4'-P-C4' energy: -146.254 flat angles P-C4'-P energy: -113.797 tors. eta vs tors. theta energy: -226.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2557.314065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.314065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.314065 (E_RNA) where: Base-Base interactions energy: -1849.428 where: short stacking energy: -747.662 Base-Backbone interact. energy: -1.880 local terms energy: -706.006164 where: bonds (distance) C4'-P energy: -123.243 bonds (distance) P-C4' energy: -113.795 flat angles C4'-P-C4' energy: -143.689 flat angles P-C4'-P energy: -97.750 tors. eta vs tors. theta energy: -227.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2396.097698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.097698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.097698 (E_RNA) where: Base-Base interactions energy: -1678.743 where: short stacking energy: -695.072 Base-Backbone interact. energy: -1.706 local terms energy: -715.648519 where: bonds (distance) C4'-P energy: -123.263 bonds (distance) P-C4' energy: -131.091 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -97.925 tors. eta vs tors. theta energy: -208.015 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: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2386.837044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.837044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.837044 (E_RNA) where: Base-Base interactions energy: -1708.174 where: short stacking energy: -692.861 Base-Backbone interact. energy: -2.501 local terms energy: -676.161489 where: bonds (distance) C4'-P energy: -97.631 bonds (distance) P-C4' energy: -120.178 flat angles C4'-P-C4' energy: -156.083 flat angles P-C4'-P energy: -91.793 tors. eta vs tors. theta energy: -210.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2269.775608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.775608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.775608 (E_RNA) where: Base-Base interactions energy: -1618.094 where: short stacking energy: -679.867 Base-Backbone interact. energy: -1.503 local terms energy: -650.179226 where: bonds (distance) C4'-P energy: -103.494 bonds (distance) P-C4' energy: -116.393 flat angles C4'-P-C4' energy: -135.664 flat angles P-C4'-P energy: -80.791 tors. eta vs tors. theta energy: -213.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2191.446797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.446797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.446797 (E_RNA) where: Base-Base interactions energy: -1561.613 where: short stacking energy: -618.943 Base-Backbone interact. energy: 0.345 local terms energy: -630.179207 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -114.679 flat angles C4'-P-C4' energy: -131.890 flat angles P-C4'-P energy: -75.682 tors. eta vs tors. theta energy: -190.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -2057.483259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.483259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.483259 (E_RNA) where: Base-Base interactions energy: -1449.978 where: short stacking energy: -593.852 Base-Backbone interact. energy: 1.491 local terms energy: -608.996745 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -104.059 flat angles C4'-P-C4' energy: -133.728 flat angles P-C4'-P energy: -92.006 tors. eta vs tors. theta energy: -163.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1984.352705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.352705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.352705 (E_RNA) where: Base-Base interactions energy: -1404.073 where: short stacking energy: -564.184 Base-Backbone interact. energy: -1.516 local terms energy: -578.763428 where: bonds (distance) C4'-P energy: -104.897 bonds (distance) P-C4' energy: -91.807 flat angles C4'-P-C4' energy: -137.080 flat angles P-C4'-P energy: -79.854 tors. eta vs tors. theta energy: -165.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -795.747903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.747903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.747903 (E_RNA) where: Base-Base interactions energy: -421.017 where: short stacking energy: -207.547 Base-Backbone interact. energy: -2.482 local terms energy: -372.249457 where: bonds (distance) C4'-P energy: -109.328 bonds (distance) P-C4' energy: -104.956 flat angles C4'-P-C4' energy: -107.413 flat angles P-C4'-P energy: -41.107 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2695.394391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.394391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.394391 (E_RNA) where: Base-Base interactions energy: -1933.226 where: short stacking energy: -772.181 Base-Backbone interact. energy: -1.391 local terms energy: -760.777021 where: bonds (distance) C4'-P energy: -132.662 bonds (distance) P-C4' energy: -124.847 flat angles C4'-P-C4' energy: -163.831 flat angles P-C4'-P energy: -108.379 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: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2606.886763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.886763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.886763 (E_RNA) where: Base-Base interactions energy: -1834.973 where: short stacking energy: -766.745 Base-Backbone interact. energy: 0.798 local terms energy: -772.710939 where: bonds (distance) C4'-P energy: -122.248 bonds (distance) P-C4' energy: -136.235 flat angles C4'-P-C4' energy: -160.673 flat angles P-C4'-P energy: -109.407 tors. eta vs tors. theta energy: -244.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2536.231079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.231079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.231079 (E_RNA) where: Base-Base interactions energy: -1794.735 where: short stacking energy: -761.017 Base-Backbone interact. energy: -0.101 local terms energy: -741.395095 where: bonds (distance) C4'-P energy: -111.289 bonds (distance) P-C4' energy: -130.149 flat angles C4'-P-C4' energy: -158.624 flat angles P-C4'-P energy: -109.292 tors. eta vs tors. theta energy: -232.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2411.446443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.446443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.446443 (E_RNA) where: Base-Base interactions energy: -1705.458 where: short stacking energy: -712.632 Base-Backbone interact. energy: 0.774 local terms energy: -706.762510 where: bonds (distance) C4'-P energy: -103.017 bonds (distance) P-C4' energy: -133.814 flat angles C4'-P-C4' energy: -151.244 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -218.627 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: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2365.617948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.617948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.617948 (E_RNA) where: Base-Base interactions energy: -1689.616 where: short stacking energy: -708.446 Base-Backbone interact. energy: -1.560 local terms energy: -674.442546 where: bonds (distance) C4'-P energy: -131.584 bonds (distance) P-C4' energy: -101.493 flat angles C4'-P-C4' energy: -133.406 flat angles P-C4'-P energy: -104.043 tors. eta vs tors. theta energy: -203.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2299.442261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.442261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.442261 (E_RNA) where: Base-Base interactions energy: -1609.664 where: short stacking energy: -664.103 Base-Backbone interact. energy: -2.779 local terms energy: -686.999104 where: bonds (distance) C4'-P energy: -104.858 bonds (distance) P-C4' energy: -138.125 flat angles C4'-P-C4' energy: -145.400 flat angles P-C4'-P energy: -88.734 tors. eta vs tors. theta energy: -209.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2197.548920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.548920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.548920 (E_RNA) where: Base-Base interactions energy: -1558.856 where: short stacking energy: -632.582 Base-Backbone interact. energy: 2.371 local terms energy: -641.063071 where: bonds (distance) C4'-P energy: -112.110 bonds (distance) P-C4' energy: -106.799 flat angles C4'-P-C4' energy: -145.846 flat angles P-C4'-P energy: -92.703 tors. eta vs tors. theta energy: -183.605 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: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -2054.565372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.565372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.565372 (E_RNA) where: Base-Base interactions energy: -1479.068 where: short stacking energy: -592.566 Base-Backbone interact. energy: -0.859 local terms energy: -574.638051 where: bonds (distance) C4'-P energy: -82.560 bonds (distance) P-C4' energy: -113.282 flat angles C4'-P-C4' energy: -138.393 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -163.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1933.169081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.169081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.169081 (E_RNA) where: Base-Base interactions energy: -1352.203 where: short stacking energy: -533.374 Base-Backbone interact. energy: -1.635 local terms energy: -579.331241 where: bonds (distance) C4'-P energy: -104.319 bonds (distance) P-C4' energy: -116.349 flat angles C4'-P-C4' energy: -120.715 flat angles P-C4'-P energy: -78.509 tors. eta vs tors. theta energy: -159.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -781.944413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.944413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.944413 (E_RNA) where: Base-Base interactions energy: -434.218 where: short stacking energy: -217.581 Base-Backbone interact. energy: 3.594 local terms energy: -351.320062 where: bonds (distance) C4'-P energy: -91.457 bonds (distance) P-C4' energy: -98.388 flat angles C4'-P-C4' energy: -104.584 flat angles P-C4'-P energy: -42.569 tors. eta vs tors. theta energy: -14.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2717.539426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.539426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.539426 (E_RNA) where: Base-Base interactions energy: -1961.944 where: short stacking energy: -774.706 Base-Backbone interact. energy: 0.137 local terms energy: -755.733006 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -126.885 flat angles C4'-P-C4' energy: -162.767 flat angles P-C4'-P energy: -107.053 tors. eta vs tors. theta energy: -228.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2613.802475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.802475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.802475 (E_RNA) where: Base-Base interactions energy: -1844.497 where: short stacking energy: -777.271 Base-Backbone interact. energy: -1.423 local terms energy: -767.882615 where: bonds (distance) C4'-P energy: -136.802 bonds (distance) P-C4' energy: -120.031 flat angles C4'-P-C4' energy: -160.007 flat angles P-C4'-P energy: -112.150 tors. eta vs tors. theta energy: -238.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2533.334660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.334660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.334660 (E_RNA) where: Base-Base interactions energy: -1797.116 where: short stacking energy: -747.616 Base-Backbone interact. energy: 0.332 local terms energy: -736.551241 where: bonds (distance) C4'-P energy: -118.103 bonds (distance) P-C4' energy: -133.273 flat angles C4'-P-C4' energy: -160.800 flat angles P-C4'-P energy: -94.014 tors. eta vs tors. theta energy: -230.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2405.154802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.154802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.154802 (E_RNA) where: Base-Base interactions energy: -1705.053 where: short stacking energy: -684.083 Base-Backbone interact. energy: 3.274 local terms energy: -703.375423 where: bonds (distance) C4'-P energy: -118.306 bonds (distance) P-C4' energy: -123.688 flat angles C4'-P-C4' energy: -145.555 flat angles P-C4'-P energy: -97.230 tors. eta vs tors. theta energy: -218.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2349.228702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.228702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.228702 (E_RNA) where: Base-Base interactions energy: -1669.614 where: short stacking energy: -671.738 Base-Backbone interact. energy: -0.679 local terms energy: -678.936236 where: bonds (distance) C4'-P energy: -120.039 bonds (distance) P-C4' energy: -129.457 flat angles C4'-P-C4' energy: -135.274 flat angles P-C4'-P energy: -94.766 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: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2312.514004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.514004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.514004 (E_RNA) where: Base-Base interactions energy: -1681.607 where: short stacking energy: -662.300 Base-Backbone interact. energy: 0.235 local terms energy: -631.141907 where: bonds (distance) C4'-P energy: -94.828 bonds (distance) P-C4' energy: -103.799 flat angles C4'-P-C4' energy: -140.152 flat angles P-C4'-P energy: -87.179 tors. eta vs tors. theta energy: -205.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2223.340838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.340838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.340838 (E_RNA) where: Base-Base interactions energy: -1570.735 where: short stacking energy: -647.618 Base-Backbone interact. energy: 1.711 local terms energy: -654.316567 where: bonds (distance) C4'-P energy: -119.800 bonds (distance) P-C4' energy: -109.297 flat angles C4'-P-C4' energy: -145.301 flat angles P-C4'-P energy: -86.955 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: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -2077.873577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.873577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.873577 (E_RNA) where: Base-Base interactions energy: -1483.998 where: short stacking energy: -624.202 Base-Backbone interact. energy: -0.835 local terms energy: -593.040428 where: bonds (distance) C4'-P energy: -101.008 bonds (distance) P-C4' energy: -114.157 flat angles C4'-P-C4' energy: -122.320 flat angles P-C4'-P energy: -79.793 tors. eta vs tors. theta energy: -175.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1965.830597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.830597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.830597 (E_RNA) where: Base-Base interactions energy: -1352.563 where: short stacking energy: -566.740 Base-Backbone interact. energy: -1.059 local terms energy: -612.208966 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -114.485 flat angles C4'-P-C4' energy: -117.957 flat angles P-C4'-P energy: -88.011 tors. eta vs tors. theta energy: -175.821 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: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -799.589707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.589707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.589707 (E_RNA) where: Base-Base interactions energy: -425.397 where: short stacking energy: -218.251 Base-Backbone interact. energy: 0.243 local terms energy: -374.434926 where: bonds (distance) C4'-P energy: -99.529 bonds (distance) P-C4' energy: -125.780 flat angles C4'-P-C4' energy: -94.639 flat angles P-C4'-P energy: -52.861 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2695.654046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.654046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.654046 (E_RNA) where: Base-Base interactions energy: -1944.605 where: short stacking energy: -770.289 Base-Backbone interact. energy: -3.358 local terms energy: -747.690872 where: bonds (distance) C4'-P energy: -137.013 bonds (distance) P-C4' energy: -126.439 flat angles C4'-P-C4' energy: -149.618 flat angles P-C4'-P energy: -114.546 tors. eta vs tors. theta energy: -220.075 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: 421 Temperature: 0.950000 Total energy: -2608.560465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.560465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.560465 (E_RNA) where: Base-Base interactions energy: -1847.053 where: short stacking energy: -766.086 Base-Backbone interact. energy: 0.730 local terms energy: -762.237701 where: bonds (distance) C4'-P energy: -125.882 bonds (distance) P-C4' energy: -139.185 flat angles C4'-P-C4' energy: -156.654 flat angles P-C4'-P energy: -107.357 tors. eta vs tors. theta energy: -233.159 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: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2517.244015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.244015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.244015 (E_RNA) where: Base-Base interactions energy: -1772.850 where: short stacking energy: -733.393 Base-Backbone interact. energy: -1.256 local terms energy: -743.137789 where: bonds (distance) C4'-P energy: -126.618 bonds (distance) P-C4' energy: -132.197 flat angles C4'-P-C4' energy: -156.693 flat angles P-C4'-P energy: -99.458 tors. eta vs tors. theta energy: -228.172 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: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2412.944229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.944229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.944229 (E_RNA) where: Base-Base interactions energy: -1691.543 where: short stacking energy: -697.676 Base-Backbone interact. energy: -0.580 local terms energy: -720.821940 where: bonds (distance) C4'-P energy: -120.347 bonds (distance) P-C4' energy: -148.189 flat angles C4'-P-C4' energy: -147.889 flat angles P-C4'-P energy: -89.652 tors. eta vs tors. theta energy: -214.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2380.445009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.445009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.445009 (E_RNA) where: Base-Base interactions energy: -1710.196 where: short stacking energy: -711.707 Base-Backbone interact. energy: -1.367 local terms energy: -668.881843 where: bonds (distance) C4'-P energy: -115.366 bonds (distance) P-C4' energy: -111.650 flat angles C4'-P-C4' energy: -140.632 flat angles P-C4'-P energy: -92.057 tors. eta vs tors. theta energy: -209.177 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: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2352.159457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.159457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.159457 (E_RNA) where: Base-Base interactions energy: -1664.352 where: short stacking energy: -689.815 Base-Backbone interact. energy: -2.728 local terms energy: -685.079209 where: bonds (distance) C4'-P energy: -115.115 bonds (distance) P-C4' energy: -114.270 flat angles C4'-P-C4' energy: -134.827 flat angles P-C4'-P energy: -103.823 tors. eta vs tors. theta energy: -217.045 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: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2149.108538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.108538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.108538 (E_RNA) where: Base-Base interactions energy: -1533.670 where: short stacking energy: -635.824 Base-Backbone interact. energy: 4.050 local terms energy: -619.487815 where: bonds (distance) C4'-P energy: -92.723 bonds (distance) P-C4' energy: -112.204 flat angles C4'-P-C4' energy: -134.323 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -193.142 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: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -2089.181726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.181726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.181726 (E_RNA) where: Base-Base interactions energy: -1489.513 where: short stacking energy: -611.208 Base-Backbone interact. energy: 0.446 local terms energy: -600.114466 where: bonds (distance) C4'-P energy: -113.849 bonds (distance) P-C4' energy: -98.871 flat angles C4'-P-C4' energy: -135.534 flat angles P-C4'-P energy: -84.455 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: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1909.468368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.468368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.468368 (E_RNA) where: Base-Base interactions energy: -1334.627 where: short stacking energy: -541.249 Base-Backbone interact. energy: 6.654 local terms energy: -581.495798 where: bonds (distance) C4'-P energy: -116.397 bonds (distance) P-C4' energy: -100.593 flat angles C4'-P-C4' energy: -139.684 flat angles P-C4'-P energy: -69.850 tors. eta vs tors. theta energy: -154.972 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: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -845.701434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.701434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.701434 (E_RNA) where: Base-Base interactions energy: -464.565 where: short stacking energy: -244.542 Base-Backbone interact. energy: -0.316 local terms energy: -380.820577 where: bonds (distance) C4'-P energy: -108.214 bonds (distance) P-C4' energy: -102.859 flat angles C4'-P-C4' energy: -99.354 flat angles P-C4'-P energy: -58.518 tors. eta vs tors. theta energy: -11.876 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: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2704.650788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.650788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.650788 (E_RNA) where: Base-Base interactions energy: -1936.096 where: short stacking energy: -781.992 Base-Backbone interact. energy: -2.450 local terms energy: -766.104981 where: bonds (distance) C4'-P energy: -129.590 bonds (distance) P-C4' energy: -132.368 flat angles C4'-P-C4' energy: -165.803 flat angles P-C4'-P energy: -105.673 tors. eta vs tors. theta energy: -232.671 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: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2612.946928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.946928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.946928 (E_RNA) where: Base-Base interactions energy: -1834.190 where: short stacking energy: -769.875 Base-Backbone interact. energy: -1.518 local terms energy: -777.239316 where: bonds (distance) C4'-P energy: -131.270 bonds (distance) P-C4' energy: -133.385 flat angles C4'-P-C4' energy: -152.231 flat angles P-C4'-P energy: -120.722 tors. eta vs tors. theta energy: -239.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2537.691315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.691315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.691315 (E_RNA) where: Base-Base interactions energy: -1799.353 where: short stacking energy: -744.426 Base-Backbone interact. energy: -2.062 local terms energy: -736.276655 where: bonds (distance) C4'-P energy: -120.144 bonds (distance) P-C4' energy: -127.052 flat angles C4'-P-C4' energy: -156.321 flat angles P-C4'-P energy: -102.244 tors. eta vs tors. theta energy: -230.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2425.569929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.569929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.569929 (E_RNA) where: Base-Base interactions energy: -1733.092 where: short stacking energy: -695.806 Base-Backbone interact. energy: -1.245 local terms energy: -691.233004 where: bonds (distance) C4'-P energy: -124.556 bonds (distance) P-C4' energy: -101.109 flat angles C4'-P-C4' energy: -156.911 flat angles P-C4'-P energy: -95.747 tors. eta vs tors. theta energy: -212.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2323.289979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.289979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.289979 (E_RNA) where: Base-Base interactions energy: -1645.896 where: short stacking energy: -681.462 Base-Backbone interact. energy: -1.303 local terms energy: -676.090440 where: bonds (distance) C4'-P energy: -111.628 bonds (distance) P-C4' energy: -108.802 flat angles C4'-P-C4' energy: -145.237 flat angles P-C4'-P energy: -92.467 tors. eta vs tors. theta energy: -217.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2279.148233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.148233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.148233 (E_RNA) where: Base-Base interactions energy: -1619.986 where: short stacking energy: -669.468 Base-Backbone interact. energy: -0.042 local terms energy: -659.120576 where: bonds (distance) C4'-P energy: -118.535 bonds (distance) P-C4' energy: -106.570 flat angles C4'-P-C4' energy: -150.675 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -197.795 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: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2189.878367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.878367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.878367 (E_RNA) where: Base-Base interactions energy: -1536.505 where: short stacking energy: -629.930 Base-Backbone interact. energy: 2.770 local terms energy: -656.143482 where: bonds (distance) C4'-P energy: -107.681 bonds (distance) P-C4' energy: -116.884 flat angles C4'-P-C4' energy: -137.170 flat angles P-C4'-P energy: -101.339 tors. eta vs tors. theta energy: -193.070 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: 422 Temperature: 1.250000 Total energy: -2110.228994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.228994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.228994 (E_RNA) where: Base-Base interactions energy: -1521.784 where: short stacking energy: -600.478 Base-Backbone interact. energy: -1.142 local terms energy: -587.302441 where: bonds (distance) C4'-P energy: -104.648 bonds (distance) P-C4' energy: -83.312 flat angles C4'-P-C4' energy: -143.423 flat angles P-C4'-P energy: -76.865 tors. eta vs tors. theta energy: -179.055 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: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -2018.742059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.742059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.742059 (E_RNA) where: Base-Base interactions energy: -1420.931 where: short stacking energy: -584.147 Base-Backbone interact. energy: 1.721 local terms energy: -599.532713 where: bonds (distance) C4'-P energy: -101.022 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -128.378 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -166.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -870.358119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.358119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.358119 (E_RNA) where: Base-Base interactions energy: -499.186 where: short stacking energy: -248.276 Base-Backbone interact. energy: -0.488 local terms energy: -370.683962 where: bonds (distance) C4'-P energy: -99.116 bonds (distance) P-C4' energy: -109.279 flat angles C4'-P-C4' energy: -87.541 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -22.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2696.860817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.860817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.860817 (E_RNA) where: Base-Base interactions energy: -1923.609 where: short stacking energy: -781.477 Base-Backbone interact. energy: -1.673 local terms energy: -771.578918 where: bonds (distance) C4'-P energy: -133.752 bonds (distance) P-C4' energy: -130.607 flat angles C4'-P-C4' energy: -159.642 flat angles P-C4'-P energy: -117.165 tors. eta vs tors. theta energy: -230.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2593.873352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.873352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.873352 (E_RNA) where: Base-Base interactions energy: -1851.021 where: short stacking energy: -770.401 Base-Backbone interact. energy: -0.955 local terms energy: -741.897606 where: bonds (distance) C4'-P energy: -112.790 bonds (distance) P-C4' energy: -130.635 flat angles C4'-P-C4' energy: -150.464 flat angles P-C4'-P energy: -116.408 tors. eta vs tors. theta energy: -231.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2542.959878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.959878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.959878 (E_RNA) where: Base-Base interactions energy: -1807.931 where: short stacking energy: -751.240 Base-Backbone interact. energy: -0.434 local terms energy: -734.594700 where: bonds (distance) C4'-P energy: -136.921 bonds (distance) P-C4' energy: -130.578 flat angles C4'-P-C4' energy: -144.219 flat angles P-C4'-P energy: -100.413 tors. eta vs tors. theta energy: -222.464 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: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2443.257168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.257168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.257168 (E_RNA) where: Base-Base interactions energy: -1717.552 where: short stacking energy: -684.171 Base-Backbone interact. energy: -1.249 local terms energy: -724.456968 where: bonds (distance) C4'-P energy: -122.109 bonds (distance) P-C4' energy: -121.972 flat angles C4'-P-C4' energy: -156.084 flat angles P-C4'-P energy: -108.332 tors. eta vs tors. theta energy: -215.960 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: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2350.728892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.728892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.728892 (E_RNA) where: Base-Base interactions energy: -1655.873 where: short stacking energy: -694.078 Base-Backbone interact. energy: -2.329 local terms energy: -692.527175 where: bonds (distance) C4'-P energy: -111.637 bonds (distance) P-C4' energy: -134.125 flat angles C4'-P-C4' energy: -152.679 flat angles P-C4'-P energy: -85.889 tors. eta vs tors. theta energy: -208.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2288.123515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.123515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.123515 (E_RNA) where: Base-Base interactions energy: -1633.426 where: short stacking energy: -676.806 Base-Backbone interact. energy: 1.384 local terms energy: -656.081766 where: bonds (distance) C4'-P energy: -100.811 bonds (distance) P-C4' energy: -122.155 flat angles C4'-P-C4' energy: -139.981 flat angles P-C4'-P energy: -98.409 tors. eta vs tors. theta energy: -194.726 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: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2205.331222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.331222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.331222 (E_RNA) where: Base-Base interactions energy: -1559.355 where: short stacking energy: -648.456 Base-Backbone interact. energy: 3.147 local terms energy: -649.123485 where: bonds (distance) C4'-P energy: -103.689 bonds (distance) P-C4' energy: -111.451 flat angles C4'-P-C4' energy: -137.284 flat angles P-C4'-P energy: -98.010 tors. eta vs tors. theta energy: -198.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -2020.153772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.153772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.153772 (E_RNA) where: Base-Base interactions energy: -1422.817 where: short stacking energy: -589.268 Base-Backbone interact. energy: 5.158 local terms energy: -602.495536 where: bonds (distance) C4'-P energy: -115.219 bonds (distance) P-C4' energy: -121.675 flat angles C4'-P-C4' energy: -118.752 flat angles P-C4'-P energy: -84.449 tors. eta vs tors. theta energy: -162.401 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: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -2026.295565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.295565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.295565 (E_RNA) where: Base-Base interactions energy: -1435.527 where: short stacking energy: -565.699 Base-Backbone interact. energy: 0.189 local terms energy: -590.957246 where: bonds (distance) C4'-P energy: -111.234 bonds (distance) P-C4' energy: -107.753 flat angles C4'-P-C4' energy: -121.883 flat angles P-C4'-P energy: -78.697 tors. eta vs tors. theta energy: -171.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -843.857739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.857739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.857739 (E_RNA) where: Base-Base interactions energy: -473.004 where: short stacking energy: -243.819 Base-Backbone interact. energy: 6.243 local terms energy: -377.096728 where: bonds (distance) C4'-P energy: -110.479 bonds (distance) P-C4' energy: -109.752 flat angles C4'-P-C4' energy: -89.995 flat angles P-C4'-P energy: -64.923 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2676.758922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.758922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.758922 (E_RNA) where: Base-Base interactions energy: -1916.635 where: short stacking energy: -779.636 Base-Backbone interact. energy: 1.403 local terms energy: -761.527280 where: bonds (distance) C4'-P energy: -126.698 bonds (distance) P-C4' energy: -132.773 flat angles C4'-P-C4' energy: -163.067 flat angles P-C4'-P energy: -106.140 tors. eta vs tors. theta energy: -232.851 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: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2599.978809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.978809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.978809 (E_RNA) where: Base-Base interactions energy: -1825.165 where: short stacking energy: -740.888 Base-Backbone interact. energy: -1.410 local terms energy: -773.404317 where: bonds (distance) C4'-P energy: -139.631 bonds (distance) P-C4' energy: -144.397 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -97.926 tors. eta vs tors. theta energy: -236.132 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: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2560.605547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.605547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.605547 (E_RNA) where: Base-Base interactions energy: -1813.796 where: short stacking energy: -755.741 Base-Backbone interact. energy: 0.707 local terms energy: -747.517066 where: bonds (distance) C4'-P energy: -131.923 bonds (distance) P-C4' energy: -117.798 flat angles C4'-P-C4' energy: -149.467 flat angles P-C4'-P energy: -110.388 tors. eta vs tors. theta energy: -237.941 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: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2451.946880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.946880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.946880 (E_RNA) where: Base-Base interactions energy: -1739.205 where: short stacking energy: -703.818 Base-Backbone interact. energy: -1.756 local terms energy: -710.986508 where: bonds (distance) C4'-P energy: -125.712 bonds (distance) P-C4' energy: -130.430 flat angles C4'-P-C4' energy: -143.850 flat angles P-C4'-P energy: -100.211 tors. eta vs tors. theta energy: -210.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2358.585218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.585218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.585218 (E_RNA) where: Base-Base interactions energy: -1658.666 where: short stacking energy: -691.759 Base-Backbone interact. energy: -1.611 local terms energy: -698.308743 where: bonds (distance) C4'-P energy: -129.756 bonds (distance) P-C4' energy: -123.331 flat angles C4'-P-C4' energy: -139.598 flat angles P-C4'-P energy: -97.941 tors. eta vs tors. theta energy: -207.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2275.362728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.362728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.362728 (E_RNA) where: Base-Base interactions energy: -1609.562 where: short stacking energy: -685.038 Base-Backbone interact. energy: 1.607 local terms energy: -667.407896 where: bonds (distance) C4'-P energy: -115.746 bonds (distance) P-C4' energy: -112.080 flat angles C4'-P-C4' energy: -130.566 flat angles P-C4'-P energy: -97.654 tors. eta vs tors. theta energy: -211.361 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: 7, replica: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2161.170504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.170504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.170504 (E_RNA) where: Base-Base interactions energy: -1509.808 where: short stacking energy: -618.847 Base-Backbone interact. energy: 0.012 local terms energy: -651.374448 where: bonds (distance) C4'-P energy: -115.168 bonds (distance) P-C4' energy: -119.297 flat angles C4'-P-C4' energy: -149.977 flat angles P-C4'-P energy: -84.997 tors. eta vs tors. theta energy: -181.936 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: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2021.008917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.008917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.008917 (E_RNA) where: Base-Base interactions energy: -1430.458 where: short stacking energy: -594.581 Base-Backbone interact. energy: -0.788 local terms energy: -589.762490 where: bonds (distance) C4'-P energy: -113.794 bonds (distance) P-C4' energy: -92.071 flat angles C4'-P-C4' energy: -135.642 flat angles P-C4'-P energy: -80.070 tors. eta vs tors. theta energy: -168.186 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: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1989.277263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.277263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.277263 (E_RNA) where: Base-Base interactions energy: -1391.489 where: short stacking energy: -580.360 Base-Backbone interact. energy: 0.288 local terms energy: -598.075929 where: bonds (distance) C4'-P energy: -96.283 bonds (distance) P-C4' energy: -122.186 flat angles C4'-P-C4' energy: -132.230 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -153.407 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: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -855.829578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.829578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.829578 (E_RNA) where: Base-Base interactions energy: -484.748 where: short stacking energy: -232.710 Base-Backbone interact. energy: 2.850 local terms energy: -373.932255 where: bonds (distance) C4'-P energy: -97.215 bonds (distance) P-C4' energy: -103.479 flat angles C4'-P-C4' energy: -104.387 flat angles P-C4'-P energy: -58.033 tors. eta vs tors. theta energy: -10.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2707.344611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.344611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.344611 (E_RNA) where: Base-Base interactions energy: -1933.890 where: short stacking energy: -781.664 Base-Backbone interact. energy: -2.010 local terms energy: -771.444241 where: bonds (distance) C4'-P energy: -140.455 bonds (distance) P-C4' energy: -126.609 flat angles C4'-P-C4' energy: -163.230 flat angles P-C4'-P energy: -98.417 tors. eta vs tors. theta energy: -242.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2621.903417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.903417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.903417 (E_RNA) where: Base-Base interactions energy: -1872.675 where: short stacking energy: -772.184 Base-Backbone interact. energy: -2.014 local terms energy: -747.214685 where: bonds (distance) C4'-P energy: -121.080 bonds (distance) P-C4' energy: -123.705 flat angles C4'-P-C4' energy: -156.551 flat angles P-C4'-P energy: -110.117 tors. eta vs tors. theta energy: -235.762 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: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2530.912792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.912792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.912792 (E_RNA) where: Base-Base interactions energy: -1781.017 where: short stacking energy: -742.689 Base-Backbone interact. energy: 0.194 local terms energy: -750.089746 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -127.558 flat angles C4'-P-C4' energy: -156.434 flat angles P-C4'-P energy: -108.889 tors. eta vs tors. theta energy: -236.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2448.917910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.917910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.917910 (E_RNA) where: Base-Base interactions energy: -1746.805 where: short stacking energy: -694.677 Base-Backbone interact. energy: -3.066 local terms energy: -699.046615 where: bonds (distance) C4'-P energy: -103.809 bonds (distance) P-C4' energy: -127.190 flat angles C4'-P-C4' energy: -152.585 flat angles P-C4'-P energy: -102.503 tors. eta vs tors. theta energy: -212.959 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: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2379.086335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.086335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.086335 (E_RNA) where: Base-Base interactions energy: -1675.508 where: short stacking energy: -665.052 Base-Backbone interact. energy: -0.355 local terms energy: -703.223524 where: bonds (distance) C4'-P energy: -122.526 bonds (distance) P-C4' energy: -121.447 flat angles C4'-P-C4' energy: -144.970 flat angles P-C4'-P energy: -106.612 tors. eta vs tors. theta energy: -207.668 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: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2296.231213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.231213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.231213 (E_RNA) where: Base-Base interactions energy: -1596.176 where: short stacking energy: -678.441 Base-Backbone interact. energy: -0.416 local terms energy: -699.638832 where: bonds (distance) C4'-P energy: -122.736 bonds (distance) P-C4' energy: -129.241 flat angles C4'-P-C4' energy: -136.379 flat angles P-C4'-P energy: -98.987 tors. eta vs tors. theta energy: -212.295 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: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2181.992304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.992304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.992304 (E_RNA) where: Base-Base interactions energy: -1501.587 where: short stacking energy: -625.585 Base-Backbone interact. energy: -0.802 local terms energy: -679.603424 where: bonds (distance) C4'-P energy: -112.919 bonds (distance) P-C4' energy: -131.736 flat angles C4'-P-C4' energy: -147.346 flat angles P-C4'-P energy: -101.052 tors. eta vs tors. theta energy: -186.550 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: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -2052.586590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.586590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.586590 (E_RNA) where: Base-Base interactions energy: -1442.476 where: short stacking energy: -584.107 Base-Backbone interact. energy: 8.272 local terms energy: -618.381775 where: bonds (distance) C4'-P energy: -103.655 bonds (distance) P-C4' energy: -128.046 flat angles C4'-P-C4' energy: -127.450 flat angles P-C4'-P energy: -90.314 tors. eta vs tors. theta energy: -168.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1949.399680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.399680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.399680 (E_RNA) where: Base-Base interactions energy: -1393.167 where: short stacking energy: -556.975 Base-Backbone interact. energy: -2.718 local terms energy: -553.514730 where: bonds (distance) C4'-P energy: -109.059 bonds (distance) P-C4' energy: -99.248 flat angles C4'-P-C4' energy: -126.017 flat angles P-C4'-P energy: -77.914 tors. eta vs tors. theta energy: -141.278 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: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -733.993456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.993456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.993456 (E_RNA) where: Base-Base interactions energy: -358.503 where: short stacking energy: -212.265 Base-Backbone interact. energy: -2.353 local terms energy: -373.137542 where: bonds (distance) C4'-P energy: -108.128 bonds (distance) P-C4' energy: -104.089 flat angles C4'-P-C4' energy: -103.261 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -1.316 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: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2709.347060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.347060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.347060 (E_RNA) where: Base-Base interactions energy: -1939.245 where: short stacking energy: -769.672 Base-Backbone interact. energy: -4.055 local terms energy: -766.046883 where: bonds (distance) C4'-P energy: -123.603 bonds (distance) P-C4' energy: -138.710 flat angles C4'-P-C4' energy: -164.731 flat angles P-C4'-P energy: -111.165 tors. eta vs tors. theta energy: -227.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2609.140682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.140682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.140682 (E_RNA) where: Base-Base interactions energy: -1836.099 where: short stacking energy: -769.053 Base-Backbone interact. energy: -2.536 local terms energy: -770.506053 where: bonds (distance) C4'-P energy: -127.484 bonds (distance) P-C4' energy: -140.276 flat angles C4'-P-C4' energy: -164.010 flat angles P-C4'-P energy: -96.439 tors. eta vs tors. theta energy: -242.297 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: 3, replica: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2546.743166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.743166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.743166 (E_RNA) where: Base-Base interactions energy: -1789.041 where: short stacking energy: -758.388 Base-Backbone interact. energy: 0.328 local terms energy: -758.029828 where: bonds (distance) C4'-P energy: -134.164 bonds (distance) P-C4' energy: -133.820 flat angles C4'-P-C4' energy: -159.130 flat angles P-C4'-P energy: -105.510 tors. eta vs tors. theta energy: -225.405 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: 4, replica: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2414.861626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.861626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.861626 (E_RNA) where: Base-Base interactions energy: -1720.462 where: short stacking energy: -700.241 Base-Backbone interact. energy: -0.648 local terms energy: -693.751580 where: bonds (distance) C4'-P energy: -120.220 bonds (distance) P-C4' energy: -137.889 flat angles C4'-P-C4' energy: -132.537 flat angles P-C4'-P energy: -101.109 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: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2342.490317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.490317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.490317 (E_RNA) where: Base-Base interactions energy: -1671.968 where: short stacking energy: -704.229 Base-Backbone interact. energy: -2.504 local terms energy: -668.017890 where: bonds (distance) C4'-P energy: -118.740 bonds (distance) P-C4' energy: -106.418 flat angles C4'-P-C4' energy: -134.675 flat angles P-C4'-P energy: -93.329 tors. eta vs tors. theta energy: -214.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2302.268004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.268004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.268004 (E_RNA) where: Base-Base interactions energy: -1641.400 where: short stacking energy: -693.241 Base-Backbone interact. energy: -1.175 local terms energy: -659.692278 where: bonds (distance) C4'-P energy: -102.977 bonds (distance) P-C4' energy: -123.923 flat angles C4'-P-C4' energy: -130.429 flat angles P-C4'-P energy: -87.258 tors. eta vs tors. theta energy: -215.106 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: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2246.582480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.582480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.582480 (E_RNA) where: Base-Base interactions energy: -1571.338 where: short stacking energy: -632.642 Base-Backbone interact. energy: -1.352 local terms energy: -673.892863 where: bonds (distance) C4'-P energy: -126.083 bonds (distance) P-C4' energy: -121.184 flat angles C4'-P-C4' energy: -142.549 flat angles P-C4'-P energy: -103.741 tors. eta vs tors. theta energy: -180.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2078.649357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.649357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.649357 (E_RNA) where: Base-Base interactions energy: -1482.107 where: short stacking energy: -617.170 Base-Backbone interact. energy: 1.544 local terms energy: -598.086955 where: bonds (distance) C4'-P energy: -94.529 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -121.857 flat angles P-C4'-P energy: -92.349 tors. eta vs tors. theta energy: -181.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1949.399995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.399995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.399995 (E_RNA) where: Base-Base interactions energy: -1411.180 where: short stacking energy: -540.410 Base-Backbone interact. energy: 4.947 local terms energy: -543.166837 where: bonds (distance) C4'-P energy: -100.269 bonds (distance) P-C4' energy: -91.340 flat angles C4'-P-C4' energy: -125.560 flat angles P-C4'-P energy: -69.997 tors. eta vs tors. theta energy: -156.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -701.791865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.791865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.791865 (E_RNA) where: Base-Base interactions energy: -348.108 where: short stacking energy: -216.144 Base-Backbone interact. energy: 0.474 local terms energy: -354.157988 where: bonds (distance) C4'-P energy: -120.154 bonds (distance) P-C4' energy: -95.552 flat angles C4'-P-C4' energy: -85.829 flat angles P-C4'-P energy: -56.264 tors. eta vs tors. theta energy: 3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2702.070145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.070145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.070145 (E_RNA) where: Base-Base interactions energy: -1932.657 where: short stacking energy: -772.899 Base-Backbone interact. energy: -0.969 local terms energy: -768.444088 where: bonds (distance) C4'-P energy: -121.635 bonds (distance) P-C4' energy: -139.103 flat angles C4'-P-C4' energy: -163.313 flat angles P-C4'-P energy: -118.604 tors. eta vs tors. theta energy: -225.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2618.184914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.184914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.184914 (E_RNA) where: Base-Base interactions energy: -1846.408 where: short stacking energy: -758.092 Base-Backbone interact. energy: -3.098 local terms energy: -768.678342 where: bonds (distance) C4'-P energy: -126.056 bonds (distance) P-C4' energy: -138.309 flat angles C4'-P-C4' energy: -152.582 flat angles P-C4'-P energy: -110.881 tors. eta vs tors. theta energy: -240.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2567.286421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.286421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.286421 (E_RNA) where: Base-Base interactions energy: -1824.236 where: short stacking energy: -759.269 Base-Backbone interact. energy: -2.076 local terms energy: -740.974743 where: bonds (distance) C4'-P energy: -131.377 bonds (distance) P-C4' energy: -115.937 flat angles C4'-P-C4' energy: -161.421 flat angles P-C4'-P energy: -98.680 tors. eta vs tors. theta energy: -233.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2412.056134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.056134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.056134 (E_RNA) where: Base-Base interactions energy: -1717.856 where: short stacking energy: -691.134 Base-Backbone interact. energy: -1.786 local terms energy: -692.413595 where: bonds (distance) C4'-P energy: -108.136 bonds (distance) P-C4' energy: -116.399 flat angles C4'-P-C4' energy: -159.018 flat angles P-C4'-P energy: -93.952 tors. eta vs tors. theta energy: -214.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2386.884196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.884196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.884196 (E_RNA) where: Base-Base interactions energy: -1700.122 where: short stacking energy: -695.862 Base-Backbone interact. energy: 0.914 local terms energy: -687.675967 where: bonds (distance) C4'-P energy: -100.370 bonds (distance) P-C4' energy: -125.817 flat angles C4'-P-C4' energy: -144.539 flat angles P-C4'-P energy: -91.154 tors. eta vs tors. theta energy: -225.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2275.119220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.119220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.119220 (E_RNA) where: Base-Base interactions energy: -1587.534 where: short stacking energy: -644.871 Base-Backbone interact. energy: -2.384 local terms energy: -685.200889 where: bonds (distance) C4'-P energy: -119.736 bonds (distance) P-C4' energy: -126.695 flat angles C4'-P-C4' energy: -146.651 flat angles P-C4'-P energy: -85.398 tors. eta vs tors. theta energy: -206.721 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: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2272.127419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.127419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.127419 (E_RNA) where: Base-Base interactions energy: -1649.587 where: short stacking energy: -643.325 Base-Backbone interact. energy: -2.449 local terms energy: -620.090498 where: bonds (distance) C4'-P energy: -93.423 bonds (distance) P-C4' energy: -105.864 flat angles C4'-P-C4' energy: -139.665 flat angles P-C4'-P energy: -89.489 tors. eta vs tors. theta energy: -191.651 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: 8, replica: 3 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2067.235513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.235513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.235513 (E_RNA) where: Base-Base interactions energy: -1452.591 where: short stacking energy: -595.747 Base-Backbone interact. energy: 0.078 local terms energy: -614.722348 where: bonds (distance) C4'-P energy: -108.697 bonds (distance) P-C4' energy: -120.399 flat angles C4'-P-C4' energy: -135.064 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: -170.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1962.062596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.062596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.062596 (E_RNA) where: Base-Base interactions energy: -1425.988 where: short stacking energy: -551.034 Base-Backbone interact. energy: -2.090 local terms energy: -533.984514 where: bonds (distance) C4'-P energy: -97.846 bonds (distance) P-C4' energy: -95.575 flat angles C4'-P-C4' energy: -119.236 flat angles P-C4'-P energy: -61.135 tors. eta vs tors. theta energy: -160.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -723.488394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.488394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.488394 (E_RNA) where: Base-Base interactions energy: -386.120 where: short stacking energy: -192.823 Base-Backbone interact. energy: 4.531 local terms energy: -341.899909 where: bonds (distance) C4'-P energy: -89.134 bonds (distance) P-C4' energy: -113.269 flat angles C4'-P-C4' energy: -73.237 flat angles P-C4'-P energy: -57.950 tors. eta vs tors. theta energy: -8.310 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: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2682.782339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.782339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.782339 (E_RNA) where: Base-Base interactions energy: -1909.997 where: short stacking energy: -769.720 Base-Backbone interact. energy: -1.357 local terms energy: -771.428288 where: bonds (distance) C4'-P energy: -128.297 bonds (distance) P-C4' energy: -137.288 flat angles C4'-P-C4' energy: -157.974 flat angles P-C4'-P energy: -118.997 tors. eta vs tors. theta energy: -228.873 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: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2590.303007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.303007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.303007 (E_RNA) where: Base-Base interactions energy: -1829.398 where: short stacking energy: -747.010 Base-Backbone interact. energy: -2.327 local terms energy: -758.577353 where: bonds (distance) C4'-P energy: -135.567 bonds (distance) P-C4' energy: -124.191 flat angles C4'-P-C4' energy: -160.137 flat angles P-C4'-P energy: -113.260 tors. eta vs tors. theta energy: -225.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2552.761575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.761575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.761575 (E_RNA) where: Base-Base interactions energy: -1796.717 where: short stacking energy: -750.287 Base-Backbone interact. energy: -2.651 local terms energy: -753.393593 where: bonds (distance) C4'-P energy: -134.728 bonds (distance) P-C4' energy: -128.169 flat angles C4'-P-C4' energy: -152.512 flat angles P-C4'-P energy: -100.181 tors. eta vs tors. theta energy: -237.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2414.194900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.194900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.194900 (E_RNA) where: Base-Base interactions energy: -1721.029 where: short stacking energy: -699.960 Base-Backbone interact. energy: -1.570 local terms energy: -691.595546 where: bonds (distance) C4'-P energy: -124.183 bonds (distance) P-C4' energy: -128.788 flat angles C4'-P-C4' energy: -136.349 flat angles P-C4'-P energy: -96.323 tors. eta vs tors. theta energy: -205.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2387.486072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.486072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.486072 (E_RNA) where: Base-Base interactions energy: -1669.262 where: short stacking energy: -698.444 Base-Backbone interact. energy: -1.559 local terms energy: -716.664655 where: bonds (distance) C4'-P energy: -120.901 bonds (distance) P-C4' energy: -131.311 flat angles C4'-P-C4' energy: -146.450 flat angles P-C4'-P energy: -98.181 tors. eta vs tors. theta energy: -219.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2259.003313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.003313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.003313 (E_RNA) where: Base-Base interactions energy: -1590.633 where: short stacking energy: -666.291 Base-Backbone interact. energy: -1.648 local terms energy: -666.722382 where: bonds (distance) C4'-P energy: -111.369 bonds (distance) P-C4' energy: -108.042 flat angles C4'-P-C4' energy: -150.023 flat angles P-C4'-P energy: -99.691 tors. eta vs tors. theta energy: -197.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2242.850207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.850207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.850207 (E_RNA) where: Base-Base interactions energy: -1614.296 where: short stacking energy: -649.139 Base-Backbone interact. energy: -1.065 local terms energy: -627.489449 where: bonds (distance) C4'-P energy: -111.482 bonds (distance) P-C4' energy: -107.711 flat angles C4'-P-C4' energy: -133.632 flat angles P-C4'-P energy: -86.152 tors. eta vs tors. theta energy: -188.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2052.571342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.571342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.571342 (E_RNA) where: Base-Base interactions energy: -1442.312 where: short stacking energy: -582.898 Base-Backbone interact. energy: -2.507 local terms energy: -607.752890 where: bonds (distance) C4'-P energy: -112.654 bonds (distance) P-C4' energy: -116.715 flat angles C4'-P-C4' energy: -130.510 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: -179.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1922.836052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.836052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.836052 (E_RNA) where: Base-Base interactions energy: -1340.295 where: short stacking energy: -529.150 Base-Backbone interact. energy: 1.569 local terms energy: -584.110480 where: bonds (distance) C4'-P energy: -107.091 bonds (distance) P-C4' energy: -121.629 flat angles C4'-P-C4' energy: -126.389 flat angles P-C4'-P energy: -79.250 tors. eta vs tors. theta energy: -149.752 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: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -737.640451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.640451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.640451 (E_RNA) where: Base-Base interactions energy: -364.219 where: short stacking energy: -209.160 Base-Backbone interact. energy: -2.267 local terms energy: -371.154534 where: bonds (distance) C4'-P energy: -105.536 bonds (distance) P-C4' energy: -121.435 flat angles C4'-P-C4' energy: -82.788 flat angles P-C4'-P energy: -59.781 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2703.658242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.658242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.658242 (E_RNA) where: Base-Base interactions energy: -1925.272 where: short stacking energy: -776.925 Base-Backbone interact. energy: 0.654 local terms energy: -779.040313 where: bonds (distance) C4'-P energy: -150.351 bonds (distance) P-C4' energy: -125.438 flat angles C4'-P-C4' energy: -155.308 flat angles P-C4'-P energy: -118.236 tors. eta vs tors. theta energy: -229.706 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: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2596.832560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.832560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.832560 (E_RNA) where: Base-Base interactions energy: -1828.109 where: short stacking energy: -772.075 Base-Backbone interact. energy: 0.136 local terms energy: -768.859196 where: bonds (distance) C4'-P energy: -138.010 bonds (distance) P-C4' energy: -142.040 flat angles C4'-P-C4' energy: -151.652 flat angles P-C4'-P energy: -96.499 tors. eta vs tors. theta energy: -240.658 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: 429 Temperature: 1.000000 Total energy: -2547.422861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.422861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.422861 (E_RNA) where: Base-Base interactions energy: -1777.255 where: short stacking energy: -749.245 Base-Backbone interact. energy: 0.873 local terms energy: -771.040784 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -139.221 flat angles C4'-P-C4' energy: -161.660 flat angles P-C4'-P energy: -110.888 tors. eta vs tors. theta energy: -226.653 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: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2421.685435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.685435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.685435 (E_RNA) where: Base-Base interactions energy: -1713.112 where: short stacking energy: -699.361 Base-Backbone interact. energy: -3.967 local terms energy: -704.605887 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -113.637 flat angles C4'-P-C4' energy: -143.071 flat angles P-C4'-P energy: -100.650 tors. eta vs tors. theta energy: -217.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2386.343918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.343918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.343918 (E_RNA) where: Base-Base interactions energy: -1711.778 where: short stacking energy: -690.342 Base-Backbone interact. energy: 0.042 local terms energy: -674.608192 where: bonds (distance) C4'-P energy: -109.662 bonds (distance) P-C4' energy: -123.479 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -93.073 tors. eta vs tors. theta energy: -211.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2381.006662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.006662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.006662 (E_RNA) where: Base-Base interactions energy: -1718.485 where: short stacking energy: -697.908 Base-Backbone interact. energy: -2.155 local terms energy: -660.366644 where: bonds (distance) C4'-P energy: -112.048 bonds (distance) P-C4' energy: -118.668 flat angles C4'-P-C4' energy: -137.235 flat angles P-C4'-P energy: -85.743 tors. eta vs tors. theta energy: -206.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2227.094832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.094832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.094832 (E_RNA) where: Base-Base interactions energy: -1588.791 where: short stacking energy: -659.412 Base-Backbone interact. energy: 1.576 local terms energy: -639.879902 where: bonds (distance) C4'-P energy: -106.369 bonds (distance) P-C4' energy: -101.785 flat angles C4'-P-C4' energy: -132.361 flat angles P-C4'-P energy: -102.880 tors. eta vs tors. theta energy: -196.485 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: 8, replica: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2092.836373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.836373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.836373 (E_RNA) where: Base-Base interactions energy: -1508.887 where: short stacking energy: -607.386 Base-Backbone interact. energy: -1.984 local terms energy: -581.966269 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -108.929 flat angles C4'-P-C4' energy: -117.042 flat angles P-C4'-P energy: -80.800 tors. eta vs tors. theta energy: -179.784 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: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1978.146408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.146408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.146408 (E_RNA) where: Base-Base interactions energy: -1398.876 where: short stacking energy: -550.014 Base-Backbone interact. energy: -0.569 local terms energy: -578.701235 where: bonds (distance) C4'-P energy: -113.674 bonds (distance) P-C4' energy: -89.094 flat angles C4'-P-C4' energy: -136.034 flat angles P-C4'-P energy: -78.283 tors. eta vs tors. theta energy: -161.617 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: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -743.542733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.542733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.542733 (E_RNA) where: Base-Base interactions energy: -372.458 where: short stacking energy: -213.647 Base-Backbone interact. energy: -2.335 local terms energy: -368.749671 where: bonds (distance) C4'-P energy: -96.378 bonds (distance) P-C4' energy: -114.390 flat angles C4'-P-C4' energy: -94.680 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -19.243 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: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2702.705768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.705768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.705768 (E_RNA) where: Base-Base interactions energy: -1940.694 where: short stacking energy: -764.605 Base-Backbone interact. energy: 0.170 local terms energy: -762.181757 where: bonds (distance) C4'-P energy: -124.493 bonds (distance) P-C4' energy: -140.305 flat angles C4'-P-C4' energy: -159.339 flat angles P-C4'-P energy: -112.932 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: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2613.197804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.197804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.197804 (E_RNA) where: Base-Base interactions energy: -1836.083 where: short stacking energy: -783.194 Base-Backbone interact. energy: -2.788 local terms energy: -774.327331 where: bonds (distance) C4'-P energy: -120.541 bonds (distance) P-C4' energy: -148.108 flat angles C4'-P-C4' energy: -166.067 flat angles P-C4'-P energy: -104.338 tors. eta vs tors. theta energy: -235.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2540.313677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.313677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.313677 (E_RNA) where: Base-Base interactions energy: -1797.253 where: short stacking energy: -748.827 Base-Backbone interact. energy: -1.152 local terms energy: -741.907930 where: bonds (distance) C4'-P energy: -127.900 bonds (distance) P-C4' energy: -123.705 flat angles C4'-P-C4' energy: -157.208 flat angles P-C4'-P energy: -107.346 tors. eta vs tors. theta energy: -225.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2481.747447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.747447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.747447 (E_RNA) where: Base-Base interactions energy: -1768.619 where: short stacking energy: -727.200 Base-Backbone interact. energy: 1.622 local terms energy: -714.750692 where: bonds (distance) C4'-P energy: -121.857 bonds (distance) P-C4' energy: -129.119 flat angles C4'-P-C4' energy: -151.623 flat angles P-C4'-P energy: -105.461 tors. eta vs tors. theta energy: -206.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2430.250048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.250048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.250048 (E_RNA) where: Base-Base interactions energy: -1731.671 where: short stacking energy: -687.783 Base-Backbone interact. energy: -2.052 local terms energy: -696.528014 where: bonds (distance) C4'-P energy: -120.565 bonds (distance) P-C4' energy: -122.760 flat angles C4'-P-C4' energy: -146.531 flat angles P-C4'-P energy: -95.116 tors. eta vs tors. theta energy: -211.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2328.867384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.867384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.867384 (E_RNA) where: Base-Base interactions energy: -1642.717 where: short stacking energy: -671.607 Base-Backbone interact. energy: -3.218 local terms energy: -682.932062 where: bonds (distance) C4'-P energy: -122.884 bonds (distance) P-C4' energy: -119.129 flat angles C4'-P-C4' energy: -136.508 flat angles P-C4'-P energy: -97.192 tors. eta vs tors. theta energy: -207.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2209.191509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.191509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.191509 (E_RNA) where: Base-Base interactions energy: -1572.191 where: short stacking energy: -638.581 Base-Backbone interact. energy: 0.479 local terms energy: -637.478778 where: bonds (distance) C4'-P energy: -109.767 bonds (distance) P-C4' energy: -124.082 flat angles C4'-P-C4' energy: -132.877 flat angles P-C4'-P energy: -78.862 tors. eta vs tors. theta energy: -191.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2109.800249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.800249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.800249 (E_RNA) where: Base-Base interactions energy: -1508.412 where: short stacking energy: -612.472 Base-Backbone interact. energy: 0.569 local terms energy: -601.957476 where: bonds (distance) C4'-P energy: -113.239 bonds (distance) P-C4' energy: -97.823 flat angles C4'-P-C4' energy: -125.961 flat angles P-C4'-P energy: -80.898 tors. eta vs tors. theta energy: -184.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1997.298750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.298750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.298750 (E_RNA) where: Base-Base interactions energy: -1409.152 where: short stacking energy: -574.891 Base-Backbone interact. energy: 1.242 local terms energy: -589.389719 where: bonds (distance) C4'-P energy: -98.192 bonds (distance) P-C4' energy: -97.377 flat angles C4'-P-C4' energy: -131.691 flat angles P-C4'-P energy: -100.063 tors. eta vs tors. theta energy: -162.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -701.057121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.057121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.057121 (E_RNA) where: Base-Base interactions energy: -316.425 where: short stacking energy: -164.653 Base-Backbone interact. energy: 0.779 local terms energy: -385.410899 where: bonds (distance) C4'-P energy: -125.062 bonds (distance) P-C4' energy: -129.808 flat angles C4'-P-C4' energy: -90.569 flat angles P-C4'-P energy: -57.968 tors. eta vs tors. theta energy: 17.996 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: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2706.642426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.642426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.642426 (E_RNA) where: Base-Base interactions energy: -1954.899 where: short stacking energy: -773.220 Base-Backbone interact. energy: -1.326 local terms energy: -750.417708 where: bonds (distance) C4'-P energy: -128.764 bonds (distance) P-C4' energy: -120.436 flat angles C4'-P-C4' energy: -158.956 flat angles P-C4'-P energy: -116.191 tors. eta vs tors. theta energy: -226.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2582.629661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.629661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.629661 (E_RNA) where: Base-Base interactions energy: -1827.001 where: short stacking energy: -758.322 Base-Backbone interact. energy: -1.026 local terms energy: -754.603360 where: bonds (distance) C4'-P energy: -129.447 bonds (distance) P-C4' energy: -138.717 flat angles C4'-P-C4' energy: -148.200 flat angles P-C4'-P energy: -105.233 tors. eta vs tors. theta energy: -233.005 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: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2561.507443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.507443 (E_RNA) where: Base-Base interactions energy: -1812.549 where: short stacking energy: -758.688 Base-Backbone interact. energy: -1.190 local terms energy: -747.768427 where: bonds (distance) C4'-P energy: -122.709 bonds (distance) P-C4' energy: -131.036 flat angles C4'-P-C4' energy: -154.816 flat angles P-C4'-P energy: -117.086 tors. eta vs tors. theta energy: -222.122 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: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2479.334710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.334710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.334710 (E_RNA) where: Base-Base interactions energy: -1762.225 where: short stacking energy: -714.639 Base-Backbone interact. energy: -2.713 local terms energy: -714.397303 where: bonds (distance) C4'-P energy: -117.420 bonds (distance) P-C4' energy: -125.930 flat angles C4'-P-C4' energy: -150.785 flat angles P-C4'-P energy: -95.870 tors. eta vs tors. theta energy: -224.393 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: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2374.953226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.953226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.953226 (E_RNA) where: Base-Base interactions energy: -1718.610 where: short stacking energy: -680.614 Base-Backbone interact. energy: -1.132 local terms energy: -655.211031 where: bonds (distance) C4'-P energy: -98.510 bonds (distance) P-C4' energy: -108.509 flat angles C4'-P-C4' energy: -150.025 flat angles P-C4'-P energy: -93.693 tors. eta vs tors. theta energy: -204.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2305.978008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.978008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.978008 (E_RNA) where: Base-Base interactions energy: -1638.455 where: short stacking energy: -646.734 Base-Backbone interact. energy: -1.993 local terms energy: -665.530525 where: bonds (distance) C4'-P energy: -112.552 bonds (distance) P-C4' energy: -118.553 flat angles C4'-P-C4' energy: -139.378 flat angles P-C4'-P energy: -93.152 tors. eta vs tors. theta energy: -201.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2207.797670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.797670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.797670 (E_RNA) where: Base-Base interactions energy: -1563.661 where: short stacking energy: -648.494 Base-Backbone interact. energy: -1.468 local terms energy: -642.669500 where: bonds (distance) C4'-P energy: -105.855 bonds (distance) P-C4' energy: -125.109 flat angles C4'-P-C4' energy: -126.863 flat angles P-C4'-P energy: -82.122 tors. eta vs tors. theta energy: -202.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2072.419802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.419802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.419802 (E_RNA) where: Base-Base interactions energy: -1477.196 where: short stacking energy: -611.225 Base-Backbone interact. energy: -1.660 local terms energy: -593.563386 where: bonds (distance) C4'-P energy: -86.956 bonds (distance) P-C4' energy: -110.890 flat angles C4'-P-C4' energy: -126.474 flat angles P-C4'-P energy: -90.467 tors. eta vs tors. theta energy: -178.777 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: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -2036.099340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.099340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.099340 (E_RNA) where: Base-Base interactions energy: -1451.338 where: short stacking energy: -575.960 Base-Backbone interact. energy: -0.374 local terms energy: -584.387400 where: bonds (distance) C4'-P energy: -107.847 bonds (distance) P-C4' energy: -99.712 flat angles C4'-P-C4' energy: -116.577 flat angles P-C4'-P energy: -79.542 tors. eta vs tors. theta energy: -180.710 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: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -756.099747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.099747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.099747 (E_RNA) where: Base-Base interactions energy: -362.612 where: short stacking energy: -221.264 Base-Backbone interact. energy: -1.788 local terms energy: -391.699687 where: bonds (distance) C4'-P energy: -106.271 bonds (distance) P-C4' energy: -116.770 flat angles C4'-P-C4' energy: -100.388 flat angles P-C4'-P energy: -57.967 tors. eta vs tors. theta energy: -10.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2695.930700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.930700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.930700 (E_RNA) where: Base-Base interactions energy: -1933.154 where: short stacking energy: -764.557 Base-Backbone interact. energy: -0.565 local terms energy: -762.211366 where: bonds (distance) C4'-P energy: -129.562 bonds (distance) P-C4' energy: -135.729 flat angles C4'-P-C4' energy: -168.681 flat angles P-C4'-P energy: -103.405 tors. eta vs tors. theta energy: -224.835 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: 2, replica: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2588.598174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.598174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.598174 (E_RNA) where: Base-Base interactions energy: -1847.117 where: short stacking energy: -774.737 Base-Backbone interact. energy: -0.795 local terms energy: -740.686960 where: bonds (distance) C4'-P energy: -124.313 bonds (distance) P-C4' energy: -130.551 flat angles C4'-P-C4' energy: -158.382 flat angles P-C4'-P energy: -97.181 tors. eta vs tors. theta energy: -230.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2588.401818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.401818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.401818 (E_RNA) where: Base-Base interactions energy: -1819.593 where: short stacking energy: -753.079 Base-Backbone interact. energy: 1.761 local terms energy: -770.569778 where: bonds (distance) C4'-P energy: -125.930 bonds (distance) P-C4' energy: -134.438 flat angles C4'-P-C4' energy: -157.541 flat angles P-C4'-P energy: -113.087 tors. eta vs tors. theta energy: -239.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2466.997211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.997211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.997211 (E_RNA) where: Base-Base interactions energy: -1763.232 where: short stacking energy: -719.248 Base-Backbone interact. energy: -0.191 local terms energy: -703.574601 where: bonds (distance) C4'-P energy: -111.869 bonds (distance) P-C4' energy: -133.302 flat angles C4'-P-C4' energy: -145.687 flat angles P-C4'-P energy: -99.464 tors. eta vs tors. theta energy: -213.253 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: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2398.950404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.950404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.950404 (E_RNA) where: Base-Base interactions energy: -1696.680 where: short stacking energy: -702.912 Base-Backbone interact. energy: 0.718 local terms energy: -702.989166 where: bonds (distance) C4'-P energy: -113.731 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -150.007 flat angles P-C4'-P energy: -102.160 tors. eta vs tors. theta energy: -216.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2262.958971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.958971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.958971 (E_RNA) where: Base-Base interactions energy: -1621.262 where: short stacking energy: -624.222 Base-Backbone interact. energy: 2.084 local terms energy: -643.781082 where: bonds (distance) C4'-P energy: -112.676 bonds (distance) P-C4' energy: -115.825 flat angles C4'-P-C4' energy: -134.063 flat angles P-C4'-P energy: -89.357 tors. eta vs tors. theta energy: -191.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2226.035902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.035902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.035902 (E_RNA) where: Base-Base interactions energy: -1571.853 where: short stacking energy: -671.216 Base-Backbone interact. energy: -0.275 local terms energy: -653.908535 where: bonds (distance) C4'-P energy: -107.665 bonds (distance) P-C4' energy: -91.803 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -103.029 tors. eta vs tors. theta energy: -204.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2036.725599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.725599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.725599 (E_RNA) where: Base-Base interactions energy: -1460.210 where: short stacking energy: -594.604 Base-Backbone interact. energy: -0.302 local terms energy: -576.213938 where: bonds (distance) C4'-P energy: -98.534 bonds (distance) P-C4' energy: -110.071 flat angles C4'-P-C4' energy: -130.227 flat angles P-C4'-P energy: -68.854 tors. eta vs tors. theta energy: -168.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -2024.871382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.871382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.871382 (E_RNA) where: Base-Base interactions energy: -1448.788 where: short stacking energy: -579.555 Base-Backbone interact. energy: -0.685 local terms energy: -575.398404 where: bonds (distance) C4'-P energy: -105.794 bonds (distance) P-C4' energy: -107.579 flat angles C4'-P-C4' energy: -122.793 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -180.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -687.595224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.595224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.595224 (E_RNA) where: Base-Base interactions energy: -326.767 where: short stacking energy: -183.258 Base-Backbone interact. energy: 3.296 local terms energy: -364.124231 where: bonds (distance) C4'-P energy: -106.947 bonds (distance) P-C4' energy: -121.496 flat angles C4'-P-C4' energy: -89.562 flat angles P-C4'-P energy: -62.882 tors. eta vs tors. theta energy: 16.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2715.836771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.836771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.836771 (E_RNA) where: Base-Base interactions energy: -1946.482 where: short stacking energy: -765.377 Base-Backbone interact. energy: -1.414 local terms energy: -767.940118 where: bonds (distance) C4'-P energy: -123.687 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -154.756 flat angles P-C4'-P energy: -113.069 tors. eta vs tors. theta energy: -227.527 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: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2627.775948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.775948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.775948 (E_RNA) where: Base-Base interactions energy: -1864.629 where: short stacking energy: -783.931 Base-Backbone interact. energy: -2.273 local terms energy: -760.874301 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -121.526 flat angles C4'-P-C4' energy: -157.965 flat angles P-C4'-P energy: -108.911 tors. eta vs tors. theta energy: -244.671 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: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2550.685582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.685582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.685582 (E_RNA) where: Base-Base interactions energy: -1814.399 where: short stacking energy: -754.475 Base-Backbone interact. energy: -2.552 local terms energy: -733.734302 where: bonds (distance) C4'-P energy: -126.170 bonds (distance) P-C4' energy: -117.032 flat angles C4'-P-C4' energy: -149.691 flat angles P-C4'-P energy: -103.927 tors. eta vs tors. theta energy: -236.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2491.910229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.910229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.910229 (E_RNA) where: Base-Base interactions energy: -1767.849 where: short stacking energy: -721.806 Base-Backbone interact. energy: -2.163 local terms energy: -721.898238 where: bonds (distance) C4'-P energy: -132.343 bonds (distance) P-C4' energy: -128.801 flat angles C4'-P-C4' energy: -135.603 flat angles P-C4'-P energy: -106.219 tors. eta vs tors. theta energy: -218.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2367.035366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.035366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.035366 (E_RNA) where: Base-Base interactions energy: -1678.670 where: short stacking energy: -684.849 Base-Backbone interact. energy: 0.001 local terms energy: -688.366542 where: bonds (distance) C4'-P energy: -114.295 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -139.289 flat angles P-C4'-P energy: -109.117 tors. eta vs tors. theta energy: -198.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2294.868005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.868005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.868005 (E_RNA) where: Base-Base interactions energy: -1621.388 where: short stacking energy: -656.801 Base-Backbone interact. energy: 1.381 local terms energy: -674.861611 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -115.238 flat angles C4'-P-C4' energy: -133.935 flat angles P-C4'-P energy: -103.296 tors. eta vs tors. theta energy: -202.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2182.940365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.940365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.940365 (E_RNA) where: Base-Base interactions energy: -1530.418 where: short stacking energy: -642.335 Base-Backbone interact. energy: 0.475 local terms energy: -652.997874 where: bonds (distance) C4'-P energy: -113.853 bonds (distance) P-C4' energy: -103.564 flat angles C4'-P-C4' energy: -146.486 flat angles P-C4'-P energy: -88.380 tors. eta vs tors. theta energy: -200.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2006.335359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.335359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.335359 (E_RNA) where: Base-Base interactions energy: -1419.216 where: short stacking energy: -560.100 Base-Backbone interact. energy: 2.901 local terms energy: -590.020689 where: bonds (distance) C4'-P energy: -92.606 bonds (distance) P-C4' energy: -111.466 flat angles C4'-P-C4' energy: -138.330 flat angles P-C4'-P energy: -82.633 tors. eta vs tors. theta energy: -164.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1936.041959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.041959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.041959 (E_RNA) where: Base-Base interactions energy: -1356.342 where: short stacking energy: -534.214 Base-Backbone interact. energy: -1.210 local terms energy: -578.489666 where: bonds (distance) C4'-P energy: -111.434 bonds (distance) P-C4' energy: -102.596 flat angles C4'-P-C4' energy: -116.478 flat angles P-C4'-P energy: -79.432 tors. eta vs tors. theta energy: -168.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -718.392890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.392890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.392890 (E_RNA) where: Base-Base interactions energy: -346.223 where: short stacking energy: -182.351 Base-Backbone interact. energy: 0.683 local terms energy: -372.852771 where: bonds (distance) C4'-P energy: -117.541 bonds (distance) P-C4' energy: -118.950 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -68.424 tors. eta vs tors. theta energy: 18.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2696.432613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.432613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.432613 (E_RNA) where: Base-Base interactions energy: -1940.311 where: short stacking energy: -742.717 Base-Backbone interact. energy: 2.355 local terms energy: -758.476800 where: bonds (distance) C4'-P energy: -130.330 bonds (distance) P-C4' energy: -138.329 flat angles C4'-P-C4' energy: -156.547 flat angles P-C4'-P energy: -113.255 tors. eta vs tors. theta energy: -220.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2603.767814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.767814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.767814 (E_RNA) where: Base-Base interactions energy: -1830.569 where: short stacking energy: -766.478 Base-Backbone interact. energy: -1.586 local terms energy: -771.612213 where: bonds (distance) C4'-P energy: -133.593 bonds (distance) P-C4' energy: -134.669 flat angles C4'-P-C4' energy: -155.796 flat angles P-C4'-P energy: -112.486 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: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2556.073589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.073589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.073589 (E_RNA) where: Base-Base interactions energy: -1828.280 where: short stacking energy: -753.266 Base-Backbone interact. energy: -2.487 local terms energy: -725.306754 where: bonds (distance) C4'-P energy: -122.952 bonds (distance) P-C4' energy: -135.953 flat angles C4'-P-C4' energy: -142.149 flat angles P-C4'-P energy: -96.362 tors. eta vs tors. theta energy: -227.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2508.215774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.215774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.215774 (E_RNA) where: Base-Base interactions energy: -1785.918 where: short stacking energy: -761.221 Base-Backbone interact. energy: -1.328 local terms energy: -720.970468 where: bonds (distance) C4'-P energy: -97.277 bonds (distance) P-C4' energy: -124.627 flat angles C4'-P-C4' energy: -157.892 flat angles P-C4'-P energy: -108.396 tors. eta vs tors. theta energy: -232.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2323.172023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.172023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.172023 (E_RNA) where: Base-Base interactions energy: -1665.541 where: short stacking energy: -631.114 Base-Backbone interact. energy: -0.344 local terms energy: -657.287353 where: bonds (distance) C4'-P energy: -108.540 bonds (distance) P-C4' energy: -131.345 flat angles C4'-P-C4' energy: -141.242 flat angles P-C4'-P energy: -95.698 tors. eta vs tors. theta energy: -180.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2305.292229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.292229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.292229 (E_RNA) where: Base-Base interactions energy: -1621.715 where: short stacking energy: -667.917 Base-Backbone interact. energy: -1.137 local terms energy: -682.440636 where: bonds (distance) C4'-P energy: -112.098 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -153.222 flat angles P-C4'-P energy: -84.005 tors. eta vs tors. theta energy: -208.584 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: 7, replica: 10 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2223.448510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.448510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.448510 (E_RNA) where: Base-Base interactions energy: -1614.421 where: short stacking energy: -667.509 Base-Backbone interact. energy: -3.434 local terms energy: -605.593286 where: bonds (distance) C4'-P energy: -92.048 bonds (distance) P-C4' energy: -101.712 flat angles C4'-P-C4' energy: -133.865 flat angles P-C4'-P energy: -84.803 tors. eta vs tors. theta energy: -193.165 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: 8, replica: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2006.282462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.282462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.282462 (E_RNA) where: Base-Base interactions energy: -1424.875 where: short stacking energy: -570.823 Base-Backbone interact. energy: -2.651 local terms energy: -578.757046 where: bonds (distance) C4'-P energy: -115.944 bonds (distance) P-C4' energy: -112.392 flat angles C4'-P-C4' energy: -128.982 flat angles P-C4'-P energy: -59.050 tors. eta vs tors. theta energy: -162.389 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: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1895.576320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.576320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.576320 (E_RNA) where: Base-Base interactions energy: -1338.923 where: short stacking energy: -558.052 Base-Backbone interact. energy: 1.251 local terms energy: -557.905199 where: bonds (distance) C4'-P energy: -98.009 bonds (distance) P-C4' energy: -114.722 flat angles C4'-P-C4' energy: -131.344 flat angles P-C4'-P energy: -67.083 tors. eta vs tors. theta energy: -146.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -809.093996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.093996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.093996 (E_RNA) where: Base-Base interactions energy: -435.363 where: short stacking energy: -233.354 Base-Backbone interact. energy: -1.234 local terms energy: -372.497307 where: bonds (distance) C4'-P energy: -99.260 bonds (distance) P-C4' energy: -97.804 flat angles C4'-P-C4' energy: -100.072 flat angles P-C4'-P energy: -61.148 tors. eta vs tors. theta energy: -14.214 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: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2729.036617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.036617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.036617 (E_RNA) where: Base-Base interactions energy: -1962.843 where: short stacking energy: -802.998 Base-Backbone interact. energy: -1.067 local terms energy: -765.126674 where: bonds (distance) C4'-P energy: -132.843 bonds (distance) P-C4' energy: -129.777 flat angles C4'-P-C4' energy: -160.588 flat angles P-C4'-P energy: -111.576 tors. eta vs tors. theta energy: -230.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2602.910351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.910351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.910351 (E_RNA) where: Base-Base interactions energy: -1864.613 where: short stacking energy: -775.889 Base-Backbone interact. energy: -2.310 local terms energy: -735.987647 where: bonds (distance) C4'-P energy: -112.719 bonds (distance) P-C4' energy: -129.639 flat angles C4'-P-C4' energy: -151.281 flat angles P-C4'-P energy: -104.666 tors. eta vs tors. theta energy: -237.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2555.155155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.155155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.155155 (E_RNA) where: Base-Base interactions energy: -1803.108 where: short stacking energy: -740.187 Base-Backbone interact. energy: -0.484 local terms energy: -751.563298 where: bonds (distance) C4'-P energy: -126.178 bonds (distance) P-C4' energy: -134.338 flat angles C4'-P-C4' energy: -151.884 flat angles P-C4'-P energy: -108.585 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: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2533.801010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.801010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.801010 (E_RNA) where: Base-Base interactions energy: -1801.567 where: short stacking energy: -741.037 Base-Backbone interact. energy: -0.894 local terms energy: -731.340493 where: bonds (distance) C4'-P energy: -129.859 bonds (distance) P-C4' energy: -120.475 flat angles C4'-P-C4' energy: -146.737 flat angles P-C4'-P energy: -104.055 tors. eta vs tors. theta energy: -230.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2365.165041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.165041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.165041 (E_RNA) where: Base-Base interactions energy: -1692.126 where: short stacking energy: -659.572 Base-Backbone interact. energy: -3.275 local terms energy: -669.764710 where: bonds (distance) C4'-P energy: -108.661 bonds (distance) P-C4' energy: -125.020 flat angles C4'-P-C4' energy: -147.538 flat angles P-C4'-P energy: -90.287 tors. eta vs tors. theta energy: -198.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2290.038094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.038094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.038094 (E_RNA) where: Base-Base interactions energy: -1652.329 where: short stacking energy: -663.469 Base-Backbone interact. energy: -3.124 local terms energy: -634.585315 where: bonds (distance) C4'-P energy: -99.169 bonds (distance) P-C4' energy: -113.067 flat angles C4'-P-C4' energy: -138.411 flat angles P-C4'-P energy: -89.520 tors. eta vs tors. theta energy: -194.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2245.407997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.407997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.407997 (E_RNA) where: Base-Base interactions energy: -1601.281 where: short stacking energy: -640.796 Base-Backbone interact. energy: -0.716 local terms energy: -643.411267 where: bonds (distance) C4'-P energy: -106.060 bonds (distance) P-C4' energy: -115.997 flat angles C4'-P-C4' energy: -139.312 flat angles P-C4'-P energy: -88.551 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: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2097.379495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.379495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.379495 (E_RNA) where: Base-Base interactions energy: -1499.870 where: short stacking energy: -582.156 Base-Backbone interact. energy: -3.818 local terms energy: -593.691453 where: bonds (distance) C4'-P energy: -98.528 bonds (distance) P-C4' energy: -104.629 flat angles C4'-P-C4' energy: -142.496 flat angles P-C4'-P energy: -84.033 tors. eta vs tors. theta energy: -164.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1877.877021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.877021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.877021 (E_RNA) where: Base-Base interactions energy: -1347.848 where: short stacking energy: -556.363 Base-Backbone interact. energy: 2.248 local terms energy: -532.277046 where: bonds (distance) C4'-P energy: -72.011 bonds (distance) P-C4' energy: -104.523 flat angles C4'-P-C4' energy: -127.300 flat angles P-C4'-P energy: -74.681 tors. eta vs tors. theta energy: -153.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -807.056461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.056461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.056461 (E_RNA) where: Base-Base interactions energy: -437.343 where: short stacking energy: -221.287 Base-Backbone interact. energy: 1.482 local terms energy: -371.194872 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -117.756 flat angles C4'-P-C4' energy: -97.383 flat angles P-C4'-P energy: -46.368 tors. eta vs tors. theta energy: 2.828 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: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2707.198921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.198921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.198921 (E_RNA) where: Base-Base interactions energy: -1955.287 where: short stacking energy: -783.074 Base-Backbone interact. energy: 0.953 local terms energy: -752.864978 where: bonds (distance) C4'-P energy: -128.550 bonds (distance) P-C4' energy: -141.194 flat angles C4'-P-C4' energy: -151.832 flat angles P-C4'-P energy: -106.495 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: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2615.669704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.669704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.669704 (E_RNA) where: Base-Base interactions energy: -1839.066 where: short stacking energy: -744.140 Base-Backbone interact. energy: -2.104 local terms energy: -774.499833 where: bonds (distance) C4'-P energy: -128.883 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -155.335 flat angles P-C4'-P energy: -102.901 tors. eta vs tors. theta energy: -242.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2572.639925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.639925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.639925 (E_RNA) where: Base-Base interactions energy: -1828.046 where: short stacking energy: -742.081 Base-Backbone interact. energy: -1.689 local terms energy: -742.904752 where: bonds (distance) C4'-P energy: -125.864 bonds (distance) P-C4' energy: -133.145 flat angles C4'-P-C4' energy: -154.294 flat angles P-C4'-P energy: -97.203 tors. eta vs tors. theta energy: -232.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2464.921580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.921580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.921580 (E_RNA) where: Base-Base interactions energy: -1741.509 where: short stacking energy: -715.478 Base-Backbone interact. energy: -0.561 local terms energy: -722.851340 where: bonds (distance) C4'-P energy: -114.564 bonds (distance) P-C4' energy: -128.154 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -101.932 tors. eta vs tors. theta energy: -228.062 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: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2379.020958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.020958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.020958 (E_RNA) where: Base-Base interactions energy: -1707.545 where: short stacking energy: -685.430 Base-Backbone interact. energy: -2.661 local terms energy: -668.814899 where: bonds (distance) C4'-P energy: -103.248 bonds (distance) P-C4' energy: -125.057 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -92.651 tors. eta vs tors. theta energy: -205.379 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: 436 Temperature: 1.150000 Total energy: -2335.149307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.149307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.149307 (E_RNA) where: Base-Base interactions energy: -1666.701 where: short stacking energy: -635.618 Base-Backbone interact. energy: -1.791 local terms energy: -666.657851 where: bonds (distance) C4'-P energy: -96.123 bonds (distance) P-C4' energy: -132.367 flat angles C4'-P-C4' energy: -140.028 flat angles P-C4'-P energy: -99.130 tors. eta vs tors. theta energy: -199.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2170.336192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.336192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.336192 (E_RNA) where: Base-Base interactions energy: -1540.339 where: short stacking energy: -637.066 Base-Backbone interact. energy: 2.066 local terms energy: -632.063340 where: bonds (distance) C4'-P energy: -116.189 bonds (distance) P-C4' energy: -106.150 flat angles C4'-P-C4' energy: -138.833 flat angles P-C4'-P energy: -82.928 tors. eta vs tors. theta energy: -187.963 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: 436 Temperature: 1.250000 Total energy: -2071.264573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.264573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.264573 (E_RNA) where: Base-Base interactions energy: -1477.884 where: short stacking energy: -586.398 Base-Backbone interact. energy: -0.627 local terms energy: -592.753325 where: bonds (distance) C4'-P energy: -104.059 bonds (distance) P-C4' energy: -89.875 flat angles C4'-P-C4' energy: -139.634 flat angles P-C4'-P energy: -84.036 tors. eta vs tors. theta energy: -175.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1815.343289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.343289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.343289 (E_RNA) where: Base-Base interactions energy: -1250.952 where: short stacking energy: -517.905 Base-Backbone interact. energy: 1.454 local terms energy: -565.845215 where: bonds (distance) C4'-P energy: -105.992 bonds (distance) P-C4' energy: -117.754 flat angles C4'-P-C4' energy: -125.373 flat angles P-C4'-P energy: -76.894 tors. eta vs tors. theta energy: -139.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -787.652422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.652422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.652422 (E_RNA) where: Base-Base interactions energy: -420.422 where: short stacking energy: -202.556 Base-Backbone interact. energy: -1.991 local terms energy: -365.239079 where: bonds (distance) C4'-P energy: -102.960 bonds (distance) P-C4' energy: -108.210 flat angles C4'-P-C4' energy: -106.416 flat angles P-C4'-P energy: -67.116 tors. eta vs tors. theta energy: 19.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2677.293881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.293881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.293881 (E_RNA) where: Base-Base interactions energy: -1918.821 where: short stacking energy: -761.256 Base-Backbone interact. energy: -1.850 local terms energy: -756.622965 where: bonds (distance) C4'-P energy: -138.814 bonds (distance) P-C4' energy: -133.946 flat angles C4'-P-C4' energy: -146.831 flat angles P-C4'-P energy: -110.304 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: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2627.537855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.537855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.537855 (E_RNA) where: Base-Base interactions energy: -1851.899 where: short stacking energy: -747.496 Base-Backbone interact. energy: 1.940 local terms energy: -777.578827 where: bonds (distance) C4'-P energy: -135.177 bonds (distance) P-C4' energy: -145.890 flat angles C4'-P-C4' energy: -151.177 flat angles P-C4'-P energy: -112.604 tors. eta vs tors. theta energy: -232.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2550.294820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.294820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.294820 (E_RNA) where: Base-Base interactions energy: -1826.637 where: short stacking energy: -715.051 Base-Backbone interact. energy: -2.240 local terms energy: -721.417765 where: bonds (distance) C4'-P energy: -117.701 bonds (distance) P-C4' energy: -128.140 flat angles C4'-P-C4' energy: -148.872 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -232.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2466.078517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.078517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.078517 (E_RNA) where: Base-Base interactions energy: -1752.636 where: short stacking energy: -726.248 Base-Backbone interact. energy: 1.154 local terms energy: -714.596194 where: bonds (distance) C4'-P energy: -110.360 bonds (distance) P-C4' energy: -116.406 flat angles C4'-P-C4' energy: -161.999 flat angles P-C4'-P energy: -94.366 tors. eta vs tors. theta energy: -231.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2394.598783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.598783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.598783 (E_RNA) where: Base-Base interactions energy: -1687.546 where: short stacking energy: -689.946 Base-Backbone interact. energy: -1.740 local terms energy: -705.312262 where: bonds (distance) C4'-P energy: -117.597 bonds (distance) P-C4' energy: -134.829 flat angles C4'-P-C4' energy: -133.525 flat angles P-C4'-P energy: -102.782 tors. eta vs tors. theta energy: -216.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2318.274679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.274679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.274679 (E_RNA) where: Base-Base interactions energy: -1676.995 where: short stacking energy: -653.749 Base-Backbone interact. energy: 1.051 local terms energy: -642.330305 where: bonds (distance) C4'-P energy: -105.512 bonds (distance) P-C4' energy: -107.504 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -84.834 tors. eta vs tors. theta energy: -205.740 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: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2206.607959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.607959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.607959 (E_RNA) where: Base-Base interactions energy: -1555.031 where: short stacking energy: -627.663 Base-Backbone interact. energy: 0.622 local terms energy: -652.199269 where: bonds (distance) C4'-P energy: -115.364 bonds (distance) P-C4' energy: -114.124 flat angles C4'-P-C4' energy: -138.433 flat angles P-C4'-P energy: -89.219 tors. eta vs tors. theta energy: -195.060 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: 437 Temperature: 1.250000 Total energy: -2138.933001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.933001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.933001 (E_RNA) where: Base-Base interactions energy: -1509.892 where: short stacking energy: -607.529 Base-Backbone interact. energy: -0.491 local terms energy: -628.550171 where: bonds (distance) C4'-P energy: -106.223 bonds (distance) P-C4' energy: -117.415 flat angles C4'-P-C4' energy: -145.380 flat angles P-C4'-P energy: -84.072 tors. eta vs tors. theta energy: -175.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1867.956909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.956909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.956909 (E_RNA) where: Base-Base interactions energy: -1290.973 where: short stacking energy: -516.697 Base-Backbone interact. energy: -2.291 local terms energy: -574.692830 where: bonds (distance) C4'-P energy: -117.951 bonds (distance) P-C4' energy: -112.275 flat angles C4'-P-C4' energy: -121.934 flat angles P-C4'-P energy: -80.652 tors. eta vs tors. theta energy: -141.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -777.639647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.639647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.639647 (E_RNA) where: Base-Base interactions energy: -423.447 where: short stacking energy: -218.189 Base-Backbone interact. energy: 0.318 local terms energy: -354.510851 where: bonds (distance) C4'-P energy: -104.613 bonds (distance) P-C4' energy: -117.169 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -53.674 tors. eta vs tors. theta energy: 6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2679.957689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.957689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.957689 (E_RNA) where: Base-Base interactions energy: -1906.811 where: short stacking energy: -742.743 Base-Backbone interact. energy: -2.697 local terms energy: -770.449258 where: bonds (distance) C4'-P energy: -141.428 bonds (distance) P-C4' energy: -138.381 flat angles C4'-P-C4' energy: -144.371 flat angles P-C4'-P energy: -125.349 tors. eta vs tors. theta energy: -220.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2627.421384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.421384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.421384 (E_RNA) where: Base-Base interactions energy: -1849.049 where: short stacking energy: -759.364 Base-Backbone interact. energy: -2.097 local terms energy: -776.275165 where: bonds (distance) C4'-P energy: -130.982 bonds (distance) P-C4' energy: -135.847 flat angles C4'-P-C4' energy: -159.442 flat angles P-C4'-P energy: -110.967 tors. eta vs tors. theta energy: -239.037 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: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2539.117003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.117003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.117003 (E_RNA) where: Base-Base interactions energy: -1801.885 where: short stacking energy: -732.304 Base-Backbone interact. energy: -0.873 local terms energy: -736.359805 where: bonds (distance) C4'-P energy: -118.768 bonds (distance) P-C4' energy: -128.487 flat angles C4'-P-C4' energy: -151.650 flat angles P-C4'-P energy: -109.909 tors. eta vs tors. theta energy: -227.545 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: 438 Temperature: 1.050000 Total energy: -2529.540725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.540725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.540725 (E_RNA) where: Base-Base interactions energy: -1799.068 where: short stacking energy: -735.030 Base-Backbone interact. energy: -2.017 local terms energy: -728.456056 where: bonds (distance) C4'-P energy: -124.440 bonds (distance) P-C4' energy: -136.308 flat angles C4'-P-C4' energy: -156.479 flat angles P-C4'-P energy: -93.056 tors. eta vs tors. theta energy: -218.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2420.602687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.602687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.602687 (E_RNA) where: Base-Base interactions energy: -1707.803 where: short stacking energy: -685.097 Base-Backbone interact. energy: 1.076 local terms energy: -713.876221 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -116.750 flat angles C4'-P-C4' energy: -157.558 flat angles P-C4'-P energy: -100.815 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: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2312.671517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.671517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.671517 (E_RNA) where: Base-Base interactions energy: -1647.640 where: short stacking energy: -653.622 Base-Backbone interact. energy: -1.516 local terms energy: -663.515973 where: bonds (distance) C4'-P energy: -109.680 bonds (distance) P-C4' energy: -102.104 flat angles C4'-P-C4' energy: -141.757 flat angles P-C4'-P energy: -111.431 tors. eta vs tors. theta energy: -198.543 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: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2197.822090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.822090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.822090 (E_RNA) where: Base-Base interactions energy: -1597.018 where: short stacking energy: -651.558 Base-Backbone interact. energy: 1.447 local terms energy: -602.251383 where: bonds (distance) C4'-P energy: -93.997 bonds (distance) P-C4' energy: -105.739 flat angles C4'-P-C4' energy: -125.648 flat angles P-C4'-P energy: -72.490 tors. eta vs tors. theta energy: -204.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2091.307457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.307457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.307457 (E_RNA) where: Base-Base interactions energy: -1486.212 where: short stacking energy: -589.429 Base-Backbone interact. energy: -4.110 local terms energy: -600.985811 where: bonds (distance) C4'-P energy: -112.255 bonds (distance) P-C4' energy: -98.803 flat angles C4'-P-C4' energy: -129.424 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -178.870 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: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1850.030451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.030451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.030451 (E_RNA) where: Base-Base interactions energy: -1286.729 where: short stacking energy: -520.727 Base-Backbone interact. energy: -0.369 local terms energy: -562.931508 where: bonds (distance) C4'-P energy: -110.259 bonds (distance) P-C4' energy: -91.235 flat angles C4'-P-C4' energy: -134.254 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -151.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -719.768262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.768262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.768262 (E_RNA) where: Base-Base interactions energy: -397.848 where: short stacking energy: -235.789 Base-Backbone interact. energy: -2.004 local terms energy: -319.916468 where: bonds (distance) C4'-P energy: -106.654 bonds (distance) P-C4' energy: -95.182 flat angles C4'-P-C4' energy: -89.425 flat angles P-C4'-P energy: -34.607 tors. eta vs tors. theta energy: 5.952 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: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2688.607323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.607323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.607323 (E_RNA) where: Base-Base interactions energy: -1931.733 where: short stacking energy: -768.633 Base-Backbone interact. energy: 6.093 local terms energy: -762.967413 where: bonds (distance) C4'-P energy: -126.198 bonds (distance) P-C4' energy: -135.971 flat angles C4'-P-C4' energy: -164.071 flat angles P-C4'-P energy: -109.159 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: 2, replica: 1 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2646.930080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.930080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.930080 (E_RNA) where: Base-Base interactions energy: -1872.911 where: short stacking energy: -760.319 Base-Backbone interact. energy: -1.454 local terms energy: -772.565095 where: bonds (distance) C4'-P energy: -138.258 bonds (distance) P-C4' energy: -139.772 flat angles C4'-P-C4' energy: -156.378 flat angles P-C4'-P energy: -109.041 tors. eta vs tors. theta energy: -229.116 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: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2527.330979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.330979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.330979 (E_RNA) where: Base-Base interactions energy: -1776.874 where: short stacking energy: -736.879 Base-Backbone interact. energy: 4.512 local terms energy: -754.969028 where: bonds (distance) C4'-P energy: -138.278 bonds (distance) P-C4' energy: -127.495 flat angles C4'-P-C4' energy: -160.408 flat angles P-C4'-P energy: -104.243 tors. eta vs tors. theta energy: -224.545 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: 439 Temperature: 1.050000 Total energy: -2507.323047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.323047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.323047 (E_RNA) where: Base-Base interactions energy: -1776.191 where: short stacking energy: -711.701 Base-Backbone interact. energy: -1.575 local terms energy: -729.556942 where: bonds (distance) C4'-P energy: -133.670 bonds (distance) P-C4' energy: -127.091 flat angles C4'-P-C4' energy: -155.376 flat angles P-C4'-P energy: -90.931 tors. eta vs tors. theta energy: -222.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2407.975896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.975896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.975896 (E_RNA) where: Base-Base interactions energy: -1724.558 where: short stacking energy: -696.806 Base-Backbone interact. energy: -0.560 local terms energy: -682.858255 where: bonds (distance) C4'-P energy: -107.797 bonds (distance) P-C4' energy: -119.278 flat angles C4'-P-C4' energy: -140.822 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -218.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2302.106264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.106264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.106264 (E_RNA) where: Base-Base interactions energy: -1651.466 where: short stacking energy: -645.750 Base-Backbone interact. energy: 1.008 local terms energy: -651.647554 where: bonds (distance) C4'-P energy: -107.044 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -133.538 flat angles P-C4'-P energy: -86.982 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: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2223.032003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.032003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.032003 (E_RNA) where: Base-Base interactions energy: -1576.966 where: short stacking energy: -654.624 Base-Backbone interact. energy: -0.422 local terms energy: -645.643966 where: bonds (distance) C4'-P energy: -94.771 bonds (distance) P-C4' energy: -131.365 flat angles C4'-P-C4' energy: -137.949 flat angles P-C4'-P energy: -93.085 tors. eta vs tors. theta energy: -188.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -2132.211235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.211235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.211235 (E_RNA) where: Base-Base interactions energy: -1513.268 where: short stacking energy: -623.064 Base-Backbone interact. energy: -0.812 local terms energy: -618.131129 where: bonds (distance) C4'-P energy: -102.213 bonds (distance) P-C4' energy: -113.212 flat angles C4'-P-C4' energy: -133.735 flat angles P-C4'-P energy: -79.601 tors. eta vs tors. theta energy: -189.370 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: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1825.127415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.127415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.127415 (E_RNA) where: Base-Base interactions energy: -1281.127 where: short stacking energy: -526.242 Base-Backbone interact. energy: -0.790 local terms energy: -543.210560 where: bonds (distance) C4'-P energy: -97.849 bonds (distance) P-C4' energy: -101.654 flat angles C4'-P-C4' energy: -115.846 flat angles P-C4'-P energy: -83.541 tors. eta vs tors. theta energy: -144.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -652.736214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.736214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.736214 (E_RNA) where: Base-Base interactions energy: -284.074 where: short stacking energy: -168.162 Base-Backbone interact. energy: 5.263 local terms energy: -373.924723 where: bonds (distance) C4'-P energy: -114.757 bonds (distance) P-C4' energy: -97.361 flat angles C4'-P-C4' energy: -93.753 flat angles P-C4'-P energy: -66.160 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2685.784005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.784005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.784005 (E_RNA) where: Base-Base interactions energy: -1925.452 where: short stacking energy: -787.840 Base-Backbone interact. energy: 0.070 local terms energy: -760.401951 where: bonds (distance) C4'-P energy: -127.305 bonds (distance) P-C4' energy: -142.186 flat angles C4'-P-C4' energy: -153.179 flat angles P-C4'-P energy: -109.040 tors. eta vs tors. theta energy: -228.693 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: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2650.768714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.768714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.768714 (E_RNA) where: Base-Base interactions energy: -1880.254 where: short stacking energy: -787.540 Base-Backbone interact. energy: -3.843 local terms energy: -766.671710 where: bonds (distance) C4'-P energy: -123.688 bonds (distance) P-C4' energy: -129.916 flat angles C4'-P-C4' energy: -160.040 flat angles P-C4'-P energy: -109.491 tors. eta vs tors. theta energy: -243.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2558.038166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.038166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.038166 (E_RNA) where: Base-Base interactions energy: -1808.805 where: short stacking energy: -745.500 Base-Backbone interact. energy: -1.760 local terms energy: -747.472870 where: bonds (distance) C4'-P energy: -116.054 bonds (distance) P-C4' energy: -133.360 flat angles C4'-P-C4' energy: -161.430 flat angles P-C4'-P energy: -104.777 tors. eta vs tors. theta energy: -231.852 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: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2497.909565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.909565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.909565 (E_RNA) where: Base-Base interactions energy: -1765.336 where: short stacking energy: -725.053 Base-Backbone interact. energy: 1.977 local terms energy: -734.550719 where: bonds (distance) C4'-P energy: -133.154 bonds (distance) P-C4' energy: -131.232 flat angles C4'-P-C4' energy: -145.290 flat angles P-C4'-P energy: -103.813 tors. eta vs tors. theta energy: -221.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2435.144741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.144741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.144741 (E_RNA) where: Base-Base interactions energy: -1707.316 where: short stacking energy: -709.284 Base-Backbone interact. energy: -1.311 local terms energy: -726.517905 where: bonds (distance) C4'-P energy: -133.223 bonds (distance) P-C4' energy: -128.266 flat angles C4'-P-C4' energy: -145.429 flat angles P-C4'-P energy: -99.830 tors. eta vs tors. theta energy: -219.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2276.067521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.067521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.067521 (E_RNA) where: Base-Base interactions energy: -1630.497 where: short stacking energy: -658.492 Base-Backbone interact. energy: -1.005 local terms energy: -644.565677 where: bonds (distance) C4'-P energy: -109.121 bonds (distance) P-C4' energy: -119.357 flat angles C4'-P-C4' energy: -136.762 flat angles P-C4'-P energy: -82.119 tors. eta vs tors. theta energy: -197.206 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: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2186.606243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.606243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.606243 (E_RNA) where: Base-Base interactions energy: -1551.686 where: short stacking energy: -645.821 Base-Backbone interact. energy: -1.786 local terms energy: -633.134982 where: bonds (distance) C4'-P energy: -106.407 bonds (distance) P-C4' energy: -101.543 flat angles C4'-P-C4' energy: -141.468 flat angles P-C4'-P energy: -86.597 tors. eta vs tors. theta energy: -197.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2085.691062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.691062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.691062 (E_RNA) where: Base-Base interactions energy: -1454.944 where: short stacking energy: -567.056 Base-Backbone interact. energy: -0.820 local terms energy: -629.927006 where: bonds (distance) C4'-P energy: -113.909 bonds (distance) P-C4' energy: -111.622 flat angles C4'-P-C4' energy: -120.012 flat angles P-C4'-P energy: -95.367 tors. eta vs tors. theta energy: -189.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1901.730209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.730209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.730209 (E_RNA) where: Base-Base interactions energy: -1348.387 where: short stacking energy: -577.378 Base-Backbone interact. energy: -0.318 local terms energy: -553.025324 where: bonds (distance) C4'-P energy: -96.240 bonds (distance) P-C4' energy: -100.896 flat angles C4'-P-C4' energy: -125.041 flat angles P-C4'-P energy: -68.699 tors. eta vs tors. theta energy: -162.149 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: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -668.285909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.285909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.285909 (E_RNA) where: Base-Base interactions energy: -306.960 where: short stacking energy: -154.720 Base-Backbone interact. energy: 4.398 local terms energy: -365.724097 where: bonds (distance) C4'-P energy: -107.703 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -92.368 flat angles P-C4'-P energy: -65.861 tors. eta vs tors. theta energy: 21.523 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: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2673.538835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.538835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.538835 (E_RNA) where: Base-Base interactions energy: -1927.910 where: short stacking energy: -769.173 Base-Backbone interact. energy: -0.921 local terms energy: -744.707905 where: bonds (distance) C4'-P energy: -130.081 bonds (distance) P-C4' energy: -129.580 flat angles C4'-P-C4' energy: -143.552 flat angles P-C4'-P energy: -114.595 tors. eta vs tors. theta energy: -226.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2641.946024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.946024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.946024 (E_RNA) where: Base-Base interactions energy: -1858.315 where: short stacking energy: -765.649 Base-Backbone interact. energy: -2.170 local terms energy: -781.461169 where: bonds (distance) C4'-P energy: -129.608 bonds (distance) P-C4' energy: -136.124 flat angles C4'-P-C4' energy: -160.255 flat angles P-C4'-P energy: -105.779 tors. eta vs tors. theta energy: -249.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2534.927137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.927137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.927137 (E_RNA) where: Base-Base interactions energy: -1807.625 where: short stacking energy: -751.440 Base-Backbone interact. energy: 0.978 local terms energy: -728.280488 where: bonds (distance) C4'-P energy: -126.960 bonds (distance) P-C4' energy: -113.821 flat angles C4'-P-C4' energy: -162.306 flat angles P-C4'-P energy: -90.520 tors. eta vs tors. theta energy: -234.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2504.313065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.313065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.313065 (E_RNA) where: Base-Base interactions energy: -1768.819 where: short stacking energy: -729.495 Base-Backbone interact. energy: -2.269 local terms energy: -733.224940 where: bonds (distance) C4'-P energy: -116.736 bonds (distance) P-C4' energy: -126.944 flat angles C4'-P-C4' energy: -154.719 flat angles P-C4'-P energy: -98.365 tors. eta vs tors. theta energy: -236.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2423.045252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.045252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.045252 (E_RNA) where: Base-Base interactions energy: -1720.845 where: short stacking energy: -688.780 Base-Backbone interact. energy: -1.118 local terms energy: -701.082505 where: bonds (distance) C4'-P energy: -119.389 bonds (distance) P-C4' energy: -112.005 flat angles C4'-P-C4' energy: -154.332 flat angles P-C4'-P energy: -103.618 tors. eta vs tors. theta energy: -211.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2281.793246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.793246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.793246 (E_RNA) where: Base-Base interactions energy: -1627.196 where: short stacking energy: -663.974 Base-Backbone interact. energy: -0.165 local terms energy: -654.431733 where: bonds (distance) C4'-P energy: -123.294 bonds (distance) P-C4' energy: -111.490 flat angles C4'-P-C4' energy: -136.355 flat angles P-C4'-P energy: -83.625 tors. eta vs tors. theta energy: -199.668 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: 7, replica: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2180.463650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.463650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.463650 (E_RNA) where: Base-Base interactions energy: -1551.459 where: short stacking energy: -620.775 Base-Backbone interact. energy: 3.011 local terms energy: -632.015288 where: bonds (distance) C4'-P energy: -108.193 bonds (distance) P-C4' energy: -112.836 flat angles C4'-P-C4' energy: -141.465 flat angles P-C4'-P energy: -84.646 tors. eta vs tors. theta energy: -184.876 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: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -2078.410498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.410498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.410498 (E_RNA) where: Base-Base interactions energy: -1506.887 where: short stacking energy: -600.302 Base-Backbone interact. energy: -0.793 local terms energy: -570.729794 where: bonds (distance) C4'-P energy: -113.185 bonds (distance) P-C4' energy: -98.506 flat angles C4'-P-C4' energy: -106.895 flat angles P-C4'-P energy: -83.067 tors. eta vs tors. theta energy: -169.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1899.172594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.172594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.172594 (E_RNA) where: Base-Base interactions energy: -1339.905 where: short stacking energy: -566.256 Base-Backbone interact. energy: 1.823 local terms energy: -561.090716 where: bonds (distance) C4'-P energy: -102.537 bonds (distance) P-C4' energy: -88.958 flat angles C4'-P-C4' energy: -129.180 flat angles P-C4'-P energy: -81.655 tors. eta vs tors. theta energy: -158.761 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: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -729.869177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.869177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.869177 (E_RNA) where: Base-Base interactions energy: -393.544 where: short stacking energy: -240.389 Base-Backbone interact. energy: 1.120 local terms energy: -337.445011 where: bonds (distance) C4'-P energy: -109.839 bonds (distance) P-C4' energy: -86.274 flat angles C4'-P-C4' energy: -88.189 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2694.100515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.100515 (E_RNA) where: Base-Base interactions energy: -1947.795 where: short stacking energy: -767.027 Base-Backbone interact. energy: -2.380 local terms energy: -743.925262 where: bonds (distance) C4'-P energy: -116.310 bonds (distance) P-C4' energy: -127.939 flat angles C4'-P-C4' energy: -162.055 flat angles P-C4'-P energy: -107.520 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: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2632.570419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.570419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.570419 (E_RNA) where: Base-Base interactions energy: -1872.706 where: short stacking energy: -777.820 Base-Backbone interact. energy: -0.312 local terms energy: -759.552411 where: bonds (distance) C4'-P energy: -135.105 bonds (distance) P-C4' energy: -129.817 flat angles C4'-P-C4' energy: -162.722 flat angles P-C4'-P energy: -96.122 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: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2530.582207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.582207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.582207 (E_RNA) where: Base-Base interactions energy: -1797.994 where: short stacking energy: -738.371 Base-Backbone interact. energy: -2.233 local terms energy: -730.355420 where: bonds (distance) C4'-P energy: -125.470 bonds (distance) P-C4' energy: -120.637 flat angles C4'-P-C4' energy: -156.885 flat angles P-C4'-P energy: -104.636 tors. eta vs tors. theta energy: -222.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2507.794709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.794709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.794709 (E_RNA) where: Base-Base interactions energy: -1778.598 where: short stacking energy: -737.241 Base-Backbone interact. energy: -2.524 local terms energy: -726.673173 where: bonds (distance) C4'-P energy: -116.481 bonds (distance) P-C4' energy: -114.587 flat angles C4'-P-C4' energy: -159.211 flat angles P-C4'-P energy: -103.010 tors. eta vs tors. theta energy: -233.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2397.197151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.197151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.197151 (E_RNA) where: Base-Base interactions energy: -1719.600 where: short stacking energy: -714.310 Base-Backbone interact. energy: -0.022 local terms energy: -677.575158 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -129.077 flat angles C4'-P-C4' energy: -147.356 flat angles P-C4'-P energy: -83.908 tors. eta vs tors. theta energy: -206.332 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: 442 Temperature: 1.150000 Total energy: -2289.332699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.332699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.332699 (E_RNA) where: Base-Base interactions energy: -1648.289 where: short stacking energy: -652.481 Base-Backbone interact. energy: -3.064 local terms energy: -637.980148 where: bonds (distance) C4'-P energy: -110.768 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -134.729 flat angles P-C4'-P energy: -87.663 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: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2172.725096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.725096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.725096 (E_RNA) where: Base-Base interactions energy: -1529.556 where: short stacking energy: -640.386 Base-Backbone interact. energy: -5.119 local terms energy: -638.050275 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -119.219 flat angles C4'-P-C4' energy: -138.063 flat angles P-C4'-P energy: -87.702 tors. eta vs tors. theta energy: -188.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -2067.915540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.915540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.915540 (E_RNA) where: Base-Base interactions energy: -1447.677 where: short stacking energy: -561.251 Base-Backbone interact. energy: 0.173 local terms energy: -620.411607 where: bonds (distance) C4'-P energy: -113.243 bonds (distance) P-C4' energy: -111.474 flat angles C4'-P-C4' energy: -135.218 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -167.743 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: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1841.196516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.196516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.196516 (E_RNA) where: Base-Base interactions energy: -1280.952 where: short stacking energy: -534.043 Base-Backbone interact. energy: -1.018 local terms energy: -559.226461 where: bonds (distance) C4'-P energy: -110.160 bonds (distance) P-C4' energy: -108.456 flat angles C4'-P-C4' energy: -123.128 flat angles P-C4'-P energy: -69.271 tors. eta vs tors. theta energy: -148.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -694.787451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.787451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.787451 (E_RNA) where: Base-Base interactions energy: -351.925 where: short stacking energy: -200.966 Base-Backbone interact. energy: 2.869 local terms energy: -345.731135 where: bonds (distance) C4'-P energy: -97.473 bonds (distance) P-C4' energy: -105.200 flat angles C4'-P-C4' energy: -84.028 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -6.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2700.028900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.028900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.028900 (E_RNA) where: Base-Base interactions energy: -1918.868 where: short stacking energy: -767.160 Base-Backbone interact. energy: -1.196 local terms energy: -779.965485 where: bonds (distance) C4'-P energy: -137.269 bonds (distance) P-C4' energy: -138.329 flat angles C4'-P-C4' energy: -160.933 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -232.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2612.022182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.022182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.022182 (E_RNA) where: Base-Base interactions energy: -1856.609 where: short stacking energy: -765.535 Base-Backbone interact. energy: -2.633 local terms energy: -752.780489 where: bonds (distance) C4'-P energy: -122.304 bonds (distance) P-C4' energy: -135.874 flat angles C4'-P-C4' energy: -154.505 flat angles P-C4'-P energy: -106.021 tors. eta vs tors. theta energy: -234.077 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: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2523.188946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.188946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.188946 (E_RNA) where: Base-Base interactions energy: -1810.426 where: short stacking energy: -753.457 Base-Backbone interact. energy: -1.553 local terms energy: -711.209870 where: bonds (distance) C4'-P energy: -105.315 bonds (distance) P-C4' energy: -127.005 flat angles C4'-P-C4' energy: -155.404 flat angles P-C4'-P energy: -92.059 tors. eta vs tors. theta energy: -231.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2477.654112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.654112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.654112 (E_RNA) where: Base-Base interactions energy: -1745.135 where: short stacking energy: -729.498 Base-Backbone interact. energy: -1.945 local terms energy: -730.573692 where: bonds (distance) C4'-P energy: -128.669 bonds (distance) P-C4' energy: -122.896 flat angles C4'-P-C4' energy: -147.037 flat angles P-C4'-P energy: -103.974 tors. eta vs tors. theta energy: -227.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2430.137866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.137866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.137866 (E_RNA) where: Base-Base interactions energy: -1745.013 where: short stacking energy: -736.735 Base-Backbone interact. energy: -1.475 local terms energy: -683.650039 where: bonds (distance) C4'-P energy: -98.138 bonds (distance) P-C4' energy: -122.203 flat angles C4'-P-C4' energy: -138.538 flat angles P-C4'-P energy: -97.490 tors. eta vs tors. theta energy: -227.282 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: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2337.064787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.064787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.064787 (E_RNA) where: Base-Base interactions energy: -1675.604 where: short stacking energy: -671.892 Base-Backbone interact. energy: -0.001 local terms energy: -661.460292 where: bonds (distance) C4'-P energy: -107.795 bonds (distance) P-C4' energy: -109.374 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -97.785 tors. eta vs tors. theta energy: -202.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2191.693336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.693336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.693336 (E_RNA) where: Base-Base interactions energy: -1555.213 where: short stacking energy: -647.794 Base-Backbone interact. energy: -1.419 local terms energy: -635.062142 where: bonds (distance) C4'-P energy: -107.929 bonds (distance) P-C4' energy: -99.841 flat angles C4'-P-C4' energy: -132.848 flat angles P-C4'-P energy: -89.092 tors. eta vs tors. theta energy: -205.352 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: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2093.954768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.954768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.954768 (E_RNA) where: Base-Base interactions energy: -1490.526 where: short stacking energy: -590.041 Base-Backbone interact. energy: 0.453 local terms energy: -603.882076 where: bonds (distance) C4'-P energy: -114.460 bonds (distance) P-C4' energy: -95.250 flat angles C4'-P-C4' energy: -129.261 flat angles P-C4'-P energy: -96.508 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: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1833.936293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.936293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.936293 (E_RNA) where: Base-Base interactions energy: -1279.476 where: short stacking energy: -524.925 Base-Backbone interact. energy: -0.902 local terms energy: -553.558843 where: bonds (distance) C4'-P energy: -88.158 bonds (distance) P-C4' energy: -110.205 flat angles C4'-P-C4' energy: -131.169 flat angles P-C4'-P energy: -81.052 tors. eta vs tors. theta energy: -142.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -702.592488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.592488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.592488 (E_RNA) where: Base-Base interactions energy: -336.406 where: short stacking energy: -190.493 Base-Backbone interact. energy: 6.077 local terms energy: -372.263496 where: bonds (distance) C4'-P energy: -101.635 bonds (distance) P-C4' energy: -107.534 flat angles C4'-P-C4' energy: -113.161 flat angles P-C4'-P energy: -50.290 tors. eta vs tors. theta energy: 0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2701.537652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.537652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.537652 (E_RNA) where: Base-Base interactions energy: -1936.182 where: short stacking energy: -780.734 Base-Backbone interact. energy: -3.087 local terms energy: -762.268803 where: bonds (distance) C4'-P energy: -133.237 bonds (distance) P-C4' energy: -129.435 flat angles C4'-P-C4' energy: -157.741 flat angles P-C4'-P energy: -108.029 tors. eta vs tors. theta energy: -233.826 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: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2612.435683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.435683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.435683 (E_RNA) where: Base-Base interactions energy: -1883.790 where: short stacking energy: -781.209 Base-Backbone interact. energy: -2.364 local terms energy: -726.282331 where: bonds (distance) C4'-P energy: -111.695 bonds (distance) P-C4' energy: -121.591 flat angles C4'-P-C4' energy: -151.511 flat angles P-C4'-P energy: -102.892 tors. eta vs tors. theta energy: -238.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2556.973074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.973074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.973074 (E_RNA) where: Base-Base interactions energy: -1788.740 where: short stacking energy: -760.781 Base-Backbone interact. energy: -0.379 local terms energy: -767.853938 where: bonds (distance) C4'-P energy: -131.956 bonds (distance) P-C4' energy: -132.150 flat angles C4'-P-C4' energy: -157.601 flat angles P-C4'-P energy: -97.329 tors. eta vs tors. theta energy: -248.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2472.723720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.723720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.723720 (E_RNA) where: Base-Base interactions energy: -1727.935 where: short stacking energy: -725.316 Base-Backbone interact. energy: -1.522 local terms energy: -743.266689 where: bonds (distance) C4'-P energy: -125.976 bonds (distance) P-C4' energy: -134.429 flat angles C4'-P-C4' energy: -157.278 flat angles P-C4'-P energy: -100.889 tors. eta vs tors. theta energy: -224.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2421.879499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.879499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.879499 (E_RNA) where: Base-Base interactions energy: -1715.129 where: short stacking energy: -676.469 Base-Backbone interact. energy: -1.567 local terms energy: -705.182610 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -128.120 flat angles C4'-P-C4' energy: -149.302 flat angles P-C4'-P energy: -90.523 tors. eta vs tors. theta energy: -204.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2270.894393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.894393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.894393 (E_RNA) where: Base-Base interactions energy: -1606.434 where: short stacking energy: -638.907 Base-Backbone interact. energy: -0.888 local terms energy: -663.573112 where: bonds (distance) C4'-P energy: -115.970 bonds (distance) P-C4' energy: -127.305 flat angles C4'-P-C4' energy: -133.243 flat angles P-C4'-P energy: -94.009 tors. eta vs tors. theta energy: -193.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2230.767305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.767305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.767305 (E_RNA) where: Base-Base interactions energy: -1620.894 where: short stacking energy: -659.919 Base-Backbone interact. energy: -1.639 local terms energy: -608.234484 where: bonds (distance) C4'-P energy: -95.145 bonds (distance) P-C4' energy: -98.879 flat angles C4'-P-C4' energy: -127.582 flat angles P-C4'-P energy: -84.970 tors. eta vs tors. theta energy: -201.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -2126.743127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.743127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.743127 (E_RNA) where: Base-Base interactions energy: -1485.792 where: short stacking energy: -599.366 Base-Backbone interact. energy: -1.783 local terms energy: -639.167806 where: bonds (distance) C4'-P energy: -126.494 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -124.095 flat angles P-C4'-P energy: -81.242 tors. eta vs tors. theta energy: -180.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1878.414395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.414395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.414395 (E_RNA) where: Base-Base interactions energy: -1292.674 where: short stacking energy: -534.603 Base-Backbone interact. energy: -0.353 local terms energy: -585.387304 where: bonds (distance) C4'-P energy: -114.004 bonds (distance) P-C4' energy: -123.083 flat angles C4'-P-C4' energy: -107.862 flat angles P-C4'-P energy: -87.728 tors. eta vs tors. theta energy: -152.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -696.183461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.183461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.183461 (E_RNA) where: Base-Base interactions energy: -351.131 where: short stacking energy: -183.221 Base-Backbone interact. energy: -2.646 local terms energy: -342.406164 where: bonds (distance) C4'-P energy: -106.757 bonds (distance) P-C4' energy: -103.239 flat angles C4'-P-C4' energy: -97.933 flat angles P-C4'-P energy: -47.183 tors. eta vs tors. theta energy: 12.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2681.942495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.942495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.942495 (E_RNA) where: Base-Base interactions energy: -1913.115 where: short stacking energy: -771.666 Base-Backbone interact. energy: -0.462 local terms energy: -768.365779 where: bonds (distance) C4'-P energy: -127.772 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -152.391 flat angles P-C4'-P energy: -119.384 tors. eta vs tors. theta energy: -229.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2626.715718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.715718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.715718 (E_RNA) where: Base-Base interactions energy: -1848.391 where: short stacking energy: -752.924 Base-Backbone interact. energy: -0.478 local terms energy: -777.846848 where: bonds (distance) C4'-P energy: -123.183 bonds (distance) P-C4' energy: -130.455 flat angles C4'-P-C4' energy: -173.772 flat angles P-C4'-P energy: -112.511 tors. eta vs tors. theta energy: -237.925 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: 445 Temperature: 1.000000 Total energy: -2566.897435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.897435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.897435 (E_RNA) where: Base-Base interactions energy: -1825.042 where: short stacking energy: -751.755 Base-Backbone interact. energy: -2.181 local terms energy: -739.674764 where: bonds (distance) C4'-P energy: -115.139 bonds (distance) P-C4' energy: -128.787 flat angles C4'-P-C4' energy: -154.363 flat angles P-C4'-P energy: -99.325 tors. eta vs tors. theta energy: -242.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2447.691773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.691773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.691773 (E_RNA) where: Base-Base interactions energy: -1729.812 where: short stacking energy: -723.669 Base-Backbone interact. energy: 1.714 local terms energy: -719.593780 where: bonds (distance) C4'-P energy: -119.012 bonds (distance) P-C4' energy: -118.126 flat angles C4'-P-C4' energy: -149.824 flat angles P-C4'-P energy: -105.554 tors. eta vs tors. theta energy: -227.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2369.011215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.011215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.011215 (E_RNA) where: Base-Base interactions energy: -1699.827 where: short stacking energy: -685.996 Base-Backbone interact. energy: 2.629 local terms energy: -671.813687 where: bonds (distance) C4'-P energy: -112.664 bonds (distance) P-C4' energy: -109.001 flat angles C4'-P-C4' energy: -138.722 flat angles P-C4'-P energy: -102.586 tors. eta vs tors. theta energy: -208.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2294.689544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.689544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.689544 (E_RNA) where: Base-Base interactions energy: -1613.939 where: short stacking energy: -656.805 Base-Backbone interact. energy: -0.607 local terms energy: -680.143010 where: bonds (distance) C4'-P energy: -113.949 bonds (distance) P-C4' energy: -113.468 flat angles C4'-P-C4' energy: -140.901 flat angles P-C4'-P energy: -104.244 tors. eta vs tors. theta energy: -207.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2225.573721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.573721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.573721 (E_RNA) where: Base-Base interactions energy: -1568.198 where: short stacking energy: -615.922 Base-Backbone interact. energy: -1.847 local terms energy: -655.529242 where: bonds (distance) C4'-P energy: -109.099 bonds (distance) P-C4' energy: -118.112 flat angles C4'-P-C4' energy: -138.450 flat angles P-C4'-P energy: -87.496 tors. eta vs tors. theta energy: -202.372 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: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1927.996875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.996875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.996875 (E_RNA) where: Base-Base interactions energy: -1357.748 where: short stacking energy: -558.067 Base-Backbone interact. energy: -3.135 local terms energy: -567.114042 where: bonds (distance) C4'-P energy: -98.837 bonds (distance) P-C4' energy: -95.199 flat angles C4'-P-C4' energy: -125.484 flat angles P-C4'-P energy: -92.097 tors. eta vs tors. theta energy: -155.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -2018.823644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.823644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.823644 (E_RNA) where: Base-Base interactions energy: -1424.346 where: short stacking energy: -554.989 Base-Backbone interact. energy: -3.087 local terms energy: -591.391139 where: bonds (distance) C4'-P energy: -113.369 bonds (distance) P-C4' energy: -118.021 flat angles C4'-P-C4' energy: -114.456 flat angles P-C4'-P energy: -74.237 tors. eta vs tors. theta energy: -171.308 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: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -747.391215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.391215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.391215 (E_RNA) where: Base-Base interactions energy: -354.113 where: short stacking energy: -219.646 Base-Backbone interact. energy: 3.989 local terms energy: -397.267263 where: bonds (distance) C4'-P energy: -101.065 bonds (distance) P-C4' energy: -107.157 flat angles C4'-P-C4' energy: -102.900 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: -24.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2686.874167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.874167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.874167 (E_RNA) where: Base-Base interactions energy: -1933.890 where: short stacking energy: -780.126 Base-Backbone interact. energy: -0.695 local terms energy: -752.288282 where: bonds (distance) C4'-P energy: -125.723 bonds (distance) P-C4' energy: -129.831 flat angles C4'-P-C4' energy: -155.059 flat angles P-C4'-P energy: -116.664 tors. eta vs tors. theta energy: -225.012 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: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2617.307614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.307614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.307614 (E_RNA) where: Base-Base interactions energy: -1868.289 where: short stacking energy: -750.411 Base-Backbone interact. energy: -2.466 local terms energy: -746.552409 where: bonds (distance) C4'-P energy: -118.406 bonds (distance) P-C4' energy: -133.878 flat angles C4'-P-C4' energy: -156.574 flat angles P-C4'-P energy: -107.758 tors. eta vs tors. theta energy: -229.936 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: 3, replica: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2528.398766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.398766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.398766 (E_RNA) where: Base-Base interactions energy: -1789.846 where: short stacking energy: -744.235 Base-Backbone interact. energy: -1.925 local terms energy: -736.627732 where: bonds (distance) C4'-P energy: -108.262 bonds (distance) P-C4' energy: -126.588 flat angles C4'-P-C4' energy: -152.201 flat angles P-C4'-P energy: -118.317 tors. eta vs tors. theta energy: -231.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2439.943953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.943953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.943953 (E_RNA) where: Base-Base interactions energy: -1731.598 where: short stacking energy: -710.372 Base-Backbone interact. energy: 0.440 local terms energy: -708.786418 where: bonds (distance) C4'-P energy: -117.672 bonds (distance) P-C4' energy: -115.243 flat angles C4'-P-C4' energy: -158.924 flat angles P-C4'-P energy: -102.194 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: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2387.346451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.346451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.346451 (E_RNA) where: Base-Base interactions energy: -1722.117 where: short stacking energy: -694.364 Base-Backbone interact. energy: -0.602 local terms energy: -664.627282 where: bonds (distance) C4'-P energy: -97.107 bonds (distance) P-C4' energy: -125.776 flat angles C4'-P-C4' energy: -148.932 flat angles P-C4'-P energy: -82.306 tors. eta vs tors. theta energy: -210.507 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: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2295.039193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.039193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.039193 (E_RNA) where: Base-Base interactions energy: -1629.808 where: short stacking energy: -671.855 Base-Backbone interact. energy: -1.414 local terms energy: -663.816532 where: bonds (distance) C4'-P energy: -105.529 bonds (distance) P-C4' energy: -110.724 flat angles C4'-P-C4' energy: -139.079 flat angles P-C4'-P energy: -99.703 tors. eta vs tors. theta energy: -208.782 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: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2187.457222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.457222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.457222 (E_RNA) where: Base-Base interactions energy: -1564.213 where: short stacking energy: -642.751 Base-Backbone interact. energy: -1.923 local terms energy: -621.321697 where: bonds (distance) C4'-P energy: -95.342 bonds (distance) P-C4' energy: -107.148 flat angles C4'-P-C4' energy: -133.002 flat angles P-C4'-P energy: -93.910 tors. eta vs tors. theta energy: -191.919 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: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1911.622573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.622573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.622573 (E_RNA) where: Base-Base interactions energy: -1312.111 where: short stacking energy: -596.752 Base-Backbone interact. energy: -0.199 local terms energy: -599.312822 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -101.641 flat angles C4'-P-C4' energy: -133.051 flat angles P-C4'-P energy: -109.328 tors. eta vs tors. theta energy: -163.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -2029.270052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.270052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.270052 (E_RNA) where: Base-Base interactions energy: -1432.792 where: short stacking energy: -558.864 Base-Backbone interact. energy: 0.030 local terms energy: -596.507334 where: bonds (distance) C4'-P energy: -96.224 bonds (distance) P-C4' energy: -123.007 flat angles C4'-P-C4' energy: -126.513 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -170.467 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: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -700.398724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.398724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.398724 (E_RNA) where: Base-Base interactions energy: -335.699 where: short stacking energy: -193.629 Base-Backbone interact. energy: 4.439 local terms energy: -369.138592 where: bonds (distance) C4'-P energy: -108.243 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -97.441 flat angles P-C4'-P energy: -59.565 tors. eta vs tors. theta energy: 1.048 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: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2699.419226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.419226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.419226 (E_RNA) where: Base-Base interactions energy: -1948.696 where: short stacking energy: -786.452 Base-Backbone interact. energy: -2.460 local terms energy: -748.262552 where: bonds (distance) C4'-P energy: -124.395 bonds (distance) P-C4' energy: -139.572 flat angles C4'-P-C4' energy: -155.455 flat angles P-C4'-P energy: -95.699 tors. eta vs tors. theta energy: -233.142 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: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2625.522623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.522623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.522623 (E_RNA) where: Base-Base interactions energy: -1862.379 where: short stacking energy: -775.278 Base-Backbone interact. energy: -2.801 local terms energy: -760.342620 where: bonds (distance) C4'-P energy: -131.980 bonds (distance) P-C4' energy: -142.007 flat angles C4'-P-C4' energy: -147.938 flat angles P-C4'-P energy: -103.616 tors. eta vs tors. theta energy: -234.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2539.096714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.096714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.096714 (E_RNA) where: Base-Base interactions energy: -1799.395 where: short stacking energy: -752.869 Base-Backbone interact. energy: -0.005 local terms energy: -739.696888 where: bonds (distance) C4'-P energy: -127.846 bonds (distance) P-C4' energy: -121.287 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -104.133 tors. eta vs tors. theta energy: -231.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2473.773491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.773491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.773491 (E_RNA) where: Base-Base interactions energy: -1748.164 where: short stacking energy: -737.937 Base-Backbone interact. energy: -2.199 local terms energy: -723.410357 where: bonds (distance) C4'-P energy: -127.467 bonds (distance) P-C4' energy: -118.774 flat angles C4'-P-C4' energy: -152.610 flat angles P-C4'-P energy: -97.390 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: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2399.696531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.696531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.696531 (E_RNA) where: Base-Base interactions energy: -1694.746 where: short stacking energy: -692.148 Base-Backbone interact. energy: 0.846 local terms energy: -705.796438 where: bonds (distance) C4'-P energy: -123.940 bonds (distance) P-C4' energy: -121.711 flat angles C4'-P-C4' energy: -148.544 flat angles P-C4'-P energy: -98.450 tors. eta vs tors. theta energy: -213.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2303.472662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.472662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.472662 (E_RNA) where: Base-Base interactions energy: -1633.220 where: short stacking energy: -673.855 Base-Backbone interact. energy: 2.925 local terms energy: -673.177442 where: bonds (distance) C4'-P energy: -104.634 bonds (distance) P-C4' energy: -121.355 flat angles C4'-P-C4' energy: -147.811 flat angles P-C4'-P energy: -88.373 tors. eta vs tors. theta energy: -211.005 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: 447 Temperature: 1.200000 Total energy: -2174.638544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.638544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.638544 (E_RNA) where: Base-Base interactions energy: -1533.970 where: short stacking energy: -605.115 Base-Backbone interact. energy: -2.621 local terms energy: -638.047744 where: bonds (distance) C4'-P energy: -115.313 bonds (distance) P-C4' energy: -114.520 flat angles C4'-P-C4' energy: -135.304 flat angles P-C4'-P energy: -78.583 tors. eta vs tors. theta energy: -194.327 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: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2085.700377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.700377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.700377 (E_RNA) where: Base-Base interactions energy: -1476.947 where: short stacking energy: -595.202 Base-Backbone interact. energy: 0.262 local terms energy: -609.015118 where: bonds (distance) C4'-P energy: -103.284 bonds (distance) P-C4' energy: -112.652 flat angles C4'-P-C4' energy: -127.015 flat angles P-C4'-P energy: -92.305 tors. eta vs tors. theta energy: -173.759 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: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1808.301435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.301435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.301435 (E_RNA) where: Base-Base interactions energy: -1231.174 where: short stacking energy: -496.610 Base-Backbone interact. energy: -3.236 local terms energy: -573.891032 where: bonds (distance) C4'-P energy: -109.334 bonds (distance) P-C4' energy: -120.583 flat angles C4'-P-C4' energy: -129.312 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -136.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -698.772374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.772374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.772374 (E_RNA) where: Base-Base interactions energy: -366.821 where: short stacking energy: -185.120 Base-Backbone interact. energy: 3.488 local terms energy: -335.439096 where: bonds (distance) C4'-P energy: -91.720 bonds (distance) P-C4' energy: -93.449 flat angles C4'-P-C4' energy: -109.329 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: 8.983 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: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2634.012623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.012623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.012623 (E_RNA) where: Base-Base interactions energy: -1858.932 where: short stacking energy: -771.551 Base-Backbone interact. energy: -1.055 local terms energy: -774.025699 where: bonds (distance) C4'-P energy: -136.166 bonds (distance) P-C4' energy: -134.856 flat angles C4'-P-C4' energy: -159.026 flat angles P-C4'-P energy: -108.267 tors. eta vs tors. theta energy: -235.711 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: 2, replica: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2658.435097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.435097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.435097 (E_RNA) where: Base-Base interactions energy: -1900.735 where: short stacking energy: -771.459 Base-Backbone interact. energy: 3.782 local terms energy: -761.481735 where: bonds (distance) C4'-P energy: -134.357 bonds (distance) P-C4' energy: -121.717 flat angles C4'-P-C4' energy: -157.958 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -234.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2525.424125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.424125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.424125 (E_RNA) where: Base-Base interactions energy: -1785.534 where: short stacking energy: -751.155 Base-Backbone interact. energy: -0.414 local terms energy: -739.476440 where: bonds (distance) C4'-P energy: -115.522 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -149.767 flat angles P-C4'-P energy: -110.587 tors. eta vs tors. theta energy: -235.852 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: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2494.979785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.979785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.979785 (E_RNA) where: Base-Base interactions energy: -1768.340 where: short stacking energy: -746.213 Base-Backbone interact. energy: -2.381 local terms energy: -724.258935 where: bonds (distance) C4'-P energy: -128.210 bonds (distance) P-C4' energy: -112.559 flat angles C4'-P-C4' energy: -146.113 flat angles P-C4'-P energy: -101.440 tors. eta vs tors. theta energy: -235.938 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: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2404.294591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.294591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.294591 (E_RNA) where: Base-Base interactions energy: -1711.252 where: short stacking energy: -701.004 Base-Backbone interact. energy: 2.484 local terms energy: -695.526649 where: bonds (distance) C4'-P energy: -124.912 bonds (distance) P-C4' energy: -124.901 flat angles C4'-P-C4' energy: -133.369 flat angles P-C4'-P energy: -96.498 tors. eta vs tors. theta energy: -215.846 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: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2342.234903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.234903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.234903 (E_RNA) where: Base-Base interactions energy: -1668.939 where: short stacking energy: -672.216 Base-Backbone interact. energy: 1.837 local terms energy: -675.132149 where: bonds (distance) C4'-P energy: -108.656 bonds (distance) P-C4' energy: -118.881 flat angles C4'-P-C4' energy: -139.783 flat angles P-C4'-P energy: -95.263 tors. eta vs tors. theta energy: -212.550 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: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2160.802609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.802609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.802609 (E_RNA) where: Base-Base interactions energy: -1511.187 where: short stacking energy: -640.983 Base-Backbone interact. energy: -1.221 local terms energy: -648.393878 where: bonds (distance) C4'-P energy: -128.423 bonds (distance) P-C4' energy: -126.312 flat angles C4'-P-C4' energy: -111.500 flat angles P-C4'-P energy: -79.722 tors. eta vs tors. theta energy: -202.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2103.315509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.315509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.315509 (E_RNA) where: Base-Base interactions energy: -1499.020 where: short stacking energy: -602.791 Base-Backbone interact. energy: -2.578 local terms energy: -601.717787 where: bonds (distance) C4'-P energy: -106.767 bonds (distance) P-C4' energy: -112.778 flat angles C4'-P-C4' energy: -129.196 flat angles P-C4'-P energy: -89.841 tors. eta vs tors. theta energy: -163.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1858.334303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.334303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.334303 (E_RNA) where: Base-Base interactions energy: -1292.091 where: short stacking energy: -533.259 Base-Backbone interact. energy: -2.885 local terms energy: -563.358579 where: bonds (distance) C4'-P energy: -116.124 bonds (distance) P-C4' energy: -113.514 flat angles C4'-P-C4' energy: -123.117 flat angles P-C4'-P energy: -65.445 tors. eta vs tors. theta energy: -145.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -726.747339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.747339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.747339 (E_RNA) where: Base-Base interactions energy: -345.442 where: short stacking energy: -173.428 Base-Backbone interact. energy: 0.675 local terms energy: -381.980461 where: bonds (distance) C4'-P energy: -108.300 bonds (distance) P-C4' energy: -125.680 flat angles C4'-P-C4' energy: -109.277 flat angles P-C4'-P energy: -50.266 tors. eta vs tors. theta energy: 11.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2681.248299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.248299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.248299 (E_RNA) where: Base-Base interactions energy: -1889.412 where: short stacking energy: -793.022 Base-Backbone interact. energy: 0.702 local terms energy: -792.538497 where: bonds (distance) C4'-P energy: -133.849 bonds (distance) P-C4' energy: -140.793 flat angles C4'-P-C4' energy: -163.849 flat angles P-C4'-P energy: -119.918 tors. eta vs tors. theta energy: -234.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2640.539017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.539017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.539017 (E_RNA) where: Base-Base interactions energy: -1905.518 where: short stacking energy: -774.038 Base-Backbone interact. energy: -2.531 local terms energy: -732.489824 where: bonds (distance) C4'-P energy: -117.251 bonds (distance) P-C4' energy: -136.452 flat angles C4'-P-C4' energy: -148.920 flat angles P-C4'-P energy: -104.794 tors. eta vs tors. theta energy: -225.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2527.826208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.826208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.826208 (E_RNA) where: Base-Base interactions energy: -1789.082 where: short stacking energy: -736.341 Base-Backbone interact. energy: 0.541 local terms energy: -739.285383 where: bonds (distance) C4'-P energy: -118.462 bonds (distance) P-C4' energy: -130.724 flat angles C4'-P-C4' energy: -150.618 flat angles P-C4'-P energy: -110.287 tors. eta vs tors. theta energy: -229.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2490.819473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.819473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.819473 (E_RNA) where: Base-Base interactions energy: -1736.162 where: short stacking energy: -714.804 Base-Backbone interact. energy: -1.950 local terms energy: -752.707439 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -134.740 flat angles C4'-P-C4' energy: -150.541 flat angles P-C4'-P energy: -107.253 tors. eta vs tors. theta energy: -230.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2454.107822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.107822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.107822 (E_RNA) where: Base-Base interactions energy: -1756.543 where: short stacking energy: -717.898 Base-Backbone interact. energy: -2.223 local terms energy: -695.342117 where: bonds (distance) C4'-P energy: -118.716 bonds (distance) P-C4' energy: -111.083 flat angles C4'-P-C4' energy: -155.388 flat angles P-C4'-P energy: -96.976 tors. eta vs tors. theta energy: -213.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2296.244319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.244319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.244319 (E_RNA) where: Base-Base interactions energy: -1639.758 where: short stacking energy: -685.808 Base-Backbone interact. energy: 2.000 local terms energy: -658.485869 where: bonds (distance) C4'-P energy: -102.195 bonds (distance) P-C4' energy: -112.699 flat angles C4'-P-C4' energy: -145.887 flat angles P-C4'-P energy: -88.123 tors. eta vs tors. theta energy: -209.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2156.681035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.681035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.681035 (E_RNA) where: Base-Base interactions energy: -1529.286 where: short stacking energy: -620.688 Base-Backbone interact. energy: -0.611 local terms energy: -626.783849 where: bonds (distance) C4'-P energy: -104.662 bonds (distance) P-C4' energy: -89.818 flat angles C4'-P-C4' energy: -132.266 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -206.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -2088.939655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.939655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.939655 (E_RNA) where: Base-Base interactions energy: -1489.330 where: short stacking energy: -613.420 Base-Backbone interact. energy: -0.533 local terms energy: -599.076696 where: bonds (distance) C4'-P energy: -109.627 bonds (distance) P-C4' energy: -98.281 flat angles C4'-P-C4' energy: -127.526 flat angles P-C4'-P energy: -96.471 tors. eta vs tors. theta energy: -167.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1829.040583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.040583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.040583 (E_RNA) where: Base-Base interactions energy: -1301.522 where: short stacking energy: -544.271 Base-Backbone interact. energy: 0.832 local terms energy: -528.350684 where: bonds (distance) C4'-P energy: -104.501 bonds (distance) P-C4' energy: -94.955 flat angles C4'-P-C4' energy: -115.487 flat angles P-C4'-P energy: -74.271 tors. eta vs tors. theta energy: -139.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -746.104906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.104906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.104906 (E_RNA) where: Base-Base interactions energy: -356.651 where: short stacking energy: -195.276 Base-Backbone interact. energy: -0.580 local terms energy: -388.873934 where: bonds (distance) C4'-P energy: -105.250 bonds (distance) P-C4' energy: -117.108 flat angles C4'-P-C4' energy: -82.635 flat angles P-C4'-P energy: -76.003 tors. eta vs tors. theta energy: -7.877 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: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2689.657811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.657811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.657811 (E_RNA) where: Base-Base interactions energy: -1927.423 where: short stacking energy: -778.388 Base-Backbone interact. energy: -0.426 local terms energy: -761.808523 where: bonds (distance) C4'-P energy: -123.949 bonds (distance) P-C4' energy: -134.894 flat angles C4'-P-C4' energy: -160.507 flat angles P-C4'-P energy: -115.862 tors. eta vs tors. theta energy: -226.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2644.349324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.349324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.349324 (E_RNA) where: Base-Base interactions energy: -1891.177 where: short stacking energy: -771.063 Base-Backbone interact. energy: -0.446 local terms energy: -752.726662 where: bonds (distance) C4'-P energy: -129.794 bonds (distance) P-C4' energy: -126.103 flat angles C4'-P-C4' energy: -152.861 flat angles P-C4'-P energy: -113.293 tors. eta vs tors. theta energy: -230.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2518.050419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.050419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.050419 (E_RNA) where: Base-Base interactions energy: -1770.283 where: short stacking energy: -750.430 Base-Backbone interact. energy: -1.419 local terms energy: -746.348978 where: bonds (distance) C4'-P energy: -119.809 bonds (distance) P-C4' energy: -136.887 flat angles C4'-P-C4' energy: -155.394 flat angles P-C4'-P energy: -95.672 tors. eta vs tors. theta energy: -238.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2510.065786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.065786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.065786 (E_RNA) where: Base-Base interactions energy: -1772.437 where: short stacking energy: -743.794 Base-Backbone interact. energy: -0.545 local terms energy: -737.083959 where: bonds (distance) C4'-P energy: -116.585 bonds (distance) P-C4' energy: -135.445 flat angles C4'-P-C4' energy: -155.038 flat angles P-C4'-P energy: -96.743 tors. eta vs tors. theta energy: -233.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2445.291317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.291317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.291317 (E_RNA) where: Base-Base interactions energy: -1725.063 where: short stacking energy: -708.801 Base-Backbone interact. energy: -0.696 local terms energy: -719.532643 where: bonds (distance) C4'-P energy: -122.864 bonds (distance) P-C4' energy: -124.079 flat angles C4'-P-C4' energy: -146.748 flat angles P-C4'-P energy: -102.264 tors. eta vs tors. theta energy: -223.577 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: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2366.856817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.856817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.856817 (E_RNA) where: Base-Base interactions energy: -1637.181 where: short stacking energy: -668.338 Base-Backbone interact. energy: -1.959 local terms energy: -727.717478 where: bonds (distance) C4'-P energy: -116.406 bonds (distance) P-C4' energy: -134.438 flat angles C4'-P-C4' energy: -152.701 flat angles P-C4'-P energy: -102.775 tors. eta vs tors. theta energy: -221.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2178.224643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.224643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.224643 (E_RNA) where: Base-Base interactions energy: -1550.152 where: short stacking energy: -623.123 Base-Backbone interact. energy: -2.114 local terms energy: -625.958648 where: bonds (distance) C4'-P energy: -107.646 bonds (distance) P-C4' energy: -110.883 flat angles C4'-P-C4' energy: -137.964 flat angles P-C4'-P energy: -86.732 tors. eta vs tors. theta energy: -182.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2076.174805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.174805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.174805 (E_RNA) where: Base-Base interactions energy: -1473.382 where: short stacking energy: -596.169 Base-Backbone interact. energy: 3.704 local terms energy: -606.496499 where: bonds (distance) C4'-P energy: -103.648 bonds (distance) P-C4' energy: -117.263 flat angles C4'-P-C4' energy: -133.242 flat angles P-C4'-P energy: -82.906 tors. eta vs tors. theta energy: -169.438 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: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1836.966348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.966348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.966348 (E_RNA) where: Base-Base interactions energy: -1284.049 where: short stacking energy: -523.800 Base-Backbone interact. energy: -0.193 local terms energy: -552.723400 where: bonds (distance) C4'-P energy: -116.046 bonds (distance) P-C4' energy: -90.999 flat angles C4'-P-C4' energy: -128.062 flat angles P-C4'-P energy: -78.944 tors. eta vs tors. theta energy: -138.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -765.600537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.600537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.600537 (E_RNA) where: Base-Base interactions energy: -400.219 where: short stacking energy: -209.529 Base-Backbone interact. energy: 1.663 local terms energy: -367.044437 where: bonds (distance) C4'-P energy: -95.177 bonds (distance) P-C4' energy: -105.175 flat angles C4'-P-C4' energy: -110.578 flat angles P-C4'-P energy: -66.664 tors. eta vs tors. theta energy: 10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2702.352571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.352571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.352571 (E_RNA) where: Base-Base interactions energy: -1908.845 where: short stacking energy: -769.847 Base-Backbone interact. energy: -3.605 local terms energy: -789.901966 where: bonds (distance) C4'-P energy: -142.640 bonds (distance) P-C4' energy: -151.852 flat angles C4'-P-C4' energy: -156.349 flat angles P-C4'-P energy: -99.987 tors. eta vs tors. theta energy: -239.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2619.662948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.662948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.662948 (E_RNA) where: Base-Base interactions energy: -1863.746 where: short stacking energy: -788.352 Base-Backbone interact. energy: 0.153 local terms energy: -756.070058 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -130.950 flat angles C4'-P-C4' energy: -154.983 flat angles P-C4'-P energy: -109.880 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: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2526.995539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.995539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.995539 (E_RNA) where: Base-Base interactions energy: -1796.838 where: short stacking energy: -730.229 Base-Backbone interact. energy: 0.167 local terms energy: -730.324758 where: bonds (distance) C4'-P energy: -116.800 bonds (distance) P-C4' energy: -127.807 flat angles C4'-P-C4' energy: -159.697 flat angles P-C4'-P energy: -94.110 tors. eta vs tors. theta energy: -231.910 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: 451 Temperature: 1.050000 Total energy: -2471.170407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.170407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.170407 (E_RNA) where: Base-Base interactions energy: -1773.498 where: short stacking energy: -747.894 Base-Backbone interact. energy: 0.644 local terms energy: -698.316060 where: bonds (distance) C4'-P energy: -114.344 bonds (distance) P-C4' energy: -104.476 flat angles C4'-P-C4' energy: -154.949 flat angles P-C4'-P energy: -99.727 tors. eta vs tors. theta energy: -224.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2438.868131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.868131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.868131 (E_RNA) where: Base-Base interactions energy: -1752.292 where: short stacking energy: -729.774 Base-Backbone interact. energy: -2.405 local terms energy: -684.171123 where: bonds (distance) C4'-P energy: -110.009 bonds (distance) P-C4' energy: -118.877 flat angles C4'-P-C4' energy: -138.758 flat angles P-C4'-P energy: -93.350 tors. eta vs tors. theta energy: -223.177 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: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2312.815928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.815928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.815928 (E_RNA) where: Base-Base interactions energy: -1632.724 where: short stacking energy: -674.043 Base-Backbone interact. energy: -1.250 local terms energy: -678.842081 where: bonds (distance) C4'-P energy: -116.735 bonds (distance) P-C4' energy: -107.390 flat angles C4'-P-C4' energy: -141.470 flat angles P-C4'-P energy: -101.960 tors. eta vs tors. theta energy: -211.287 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: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2159.245256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.245256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.245256 (E_RNA) where: Base-Base interactions energy: -1542.457 where: short stacking energy: -642.493 Base-Backbone interact. energy: -1.754 local terms energy: -615.034164 where: bonds (distance) C4'-P energy: -111.572 bonds (distance) P-C4' energy: -109.961 flat angles C4'-P-C4' energy: -116.518 flat angles P-C4'-P energy: -95.034 tors. eta vs tors. theta energy: -181.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2068.597431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.597431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.597431 (E_RNA) where: Base-Base interactions energy: -1461.864 where: short stacking energy: -559.604 Base-Backbone interact. energy: -1.309 local terms energy: -605.423665 where: bonds (distance) C4'-P energy: -93.367 bonds (distance) P-C4' energy: -115.604 flat angles C4'-P-C4' energy: -139.218 flat angles P-C4'-P energy: -91.222 tors. eta vs tors. theta energy: -166.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1833.221082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.221082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.221082 (E_RNA) where: Base-Base interactions energy: -1251.618 where: short stacking energy: -523.523 Base-Backbone interact. energy: -1.028 local terms energy: -580.575735 where: bonds (distance) C4'-P energy: -108.728 bonds (distance) P-C4' energy: -112.171 flat angles C4'-P-C4' energy: -120.681 flat angles P-C4'-P energy: -90.662 tors. eta vs tors. theta energy: -148.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -732.371513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.371513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.371513 (E_RNA) where: Base-Base interactions energy: -422.728 where: short stacking energy: -188.777 Base-Backbone interact. energy: -0.044 local terms energy: -309.599717 where: bonds (distance) C4'-P energy: -99.394 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -76.222 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: 16.719 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: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2696.305093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.305093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.305093 (E_RNA) where: Base-Base interactions energy: -1924.812 where: short stacking energy: -758.543 Base-Backbone interact. energy: 0.396 local terms energy: -771.889507 where: bonds (distance) C4'-P energy: -125.811 bonds (distance) P-C4' energy: -141.707 flat angles C4'-P-C4' energy: -167.706 flat angles P-C4'-P energy: -107.119 tors. eta vs tors. theta energy: -229.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2615.045261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.045261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.045261 (E_RNA) where: Base-Base interactions energy: -1849.046 where: short stacking energy: -762.111 Base-Backbone interact. energy: -2.229 local terms energy: -763.769533 where: bonds (distance) C4'-P energy: -130.733 bonds (distance) P-C4' energy: -129.160 flat angles C4'-P-C4' energy: -162.912 flat angles P-C4'-P energy: -107.702 tors. eta vs tors. theta energy: -233.263 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: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2572.885553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.885553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.885553 (E_RNA) where: Base-Base interactions energy: -1822.240 where: short stacking energy: -746.473 Base-Backbone interact. energy: -1.223 local terms energy: -749.422516 where: bonds (distance) C4'-P energy: -121.582 bonds (distance) P-C4' energy: -128.731 flat angles C4'-P-C4' energy: -158.447 flat angles P-C4'-P energy: -102.973 tors. eta vs tors. theta energy: -237.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2486.803144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.803144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.803144 (E_RNA) where: Base-Base interactions energy: -1753.404 where: short stacking energy: -749.585 Base-Backbone interact. energy: -2.041 local terms energy: -731.357977 where: bonds (distance) C4'-P energy: -122.933 bonds (distance) P-C4' energy: -131.980 flat angles C4'-P-C4' energy: -140.729 flat angles P-C4'-P energy: -97.480 tors. eta vs tors. theta energy: -238.237 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: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2432.428768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.428768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.428768 (E_RNA) where: Base-Base interactions energy: -1733.059 where: short stacking energy: -702.242 Base-Backbone interact. energy: -1.769 local terms energy: -697.599832 where: bonds (distance) C4'-P energy: -120.484 bonds (distance) P-C4' energy: -115.824 flat angles C4'-P-C4' energy: -148.731 flat angles P-C4'-P energy: -92.861 tors. eta vs tors. theta energy: -219.699 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: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2306.723179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.723179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.723179 (E_RNA) where: Base-Base interactions energy: -1621.252 where: short stacking energy: -659.240 Base-Backbone interact. energy: -1.733 local terms energy: -683.738162 where: bonds (distance) C4'-P energy: -117.768 bonds (distance) P-C4' energy: -107.906 flat angles C4'-P-C4' energy: -143.831 flat angles P-C4'-P energy: -108.255 tors. eta vs tors. theta energy: -205.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2143.388968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.388968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.388968 (E_RNA) where: Base-Base interactions energy: -1535.761 where: short stacking energy: -621.637 Base-Backbone interact. energy: 0.153 local terms energy: -607.781302 where: bonds (distance) C4'-P energy: -101.101 bonds (distance) P-C4' energy: -99.854 flat angles C4'-P-C4' energy: -127.680 flat angles P-C4'-P energy: -93.579 tors. eta vs tors. theta energy: -185.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2094.885038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.885038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.885038 (E_RNA) where: Base-Base interactions energy: -1496.784 where: short stacking energy: -625.157 Base-Backbone interact. energy: -2.567 local terms energy: -595.533877 where: bonds (distance) C4'-P energy: -105.100 bonds (distance) P-C4' energy: -106.670 flat angles C4'-P-C4' energy: -123.924 flat angles P-C4'-P energy: -77.908 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: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1863.974866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.974866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.974866 (E_RNA) where: Base-Base interactions energy: -1313.553 where: short stacking energy: -539.637 Base-Backbone interact. energy: -2.804 local terms energy: -547.617383 where: bonds (distance) C4'-P energy: -101.788 bonds (distance) P-C4' energy: -97.921 flat angles C4'-P-C4' energy: -128.253 flat angles P-C4'-P energy: -73.859 tors. eta vs tors. theta energy: -145.796 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: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -698.927305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.927305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.927305 (E_RNA) where: Base-Base interactions energy: -363.888 where: short stacking energy: -220.431 Base-Backbone interact. energy: 2.600 local terms energy: -337.639383 where: bonds (distance) C4'-P energy: -90.015 bonds (distance) P-C4' energy: -112.036 flat angles C4'-P-C4' energy: -107.158 flat angles P-C4'-P energy: -23.964 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2712.504472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.504472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.504472 (E_RNA) where: Base-Base interactions energy: -1940.780 where: short stacking energy: -779.739 Base-Backbone interact. energy: -2.938 local terms energy: -768.786131 where: bonds (distance) C4'-P energy: -134.536 bonds (distance) P-C4' energy: -133.995 flat angles C4'-P-C4' energy: -151.222 flat angles P-C4'-P energy: -114.848 tors. eta vs tors. theta energy: -234.184 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: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2589.540815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.540815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.540815 (E_RNA) where: Base-Base interactions energy: -1839.663 where: short stacking energy: -764.656 Base-Backbone interact. energy: -1.697 local terms energy: -748.180998 where: bonds (distance) C4'-P energy: -127.445 bonds (distance) P-C4' energy: -128.292 flat angles C4'-P-C4' energy: -148.709 flat angles P-C4'-P energy: -108.457 tors. eta vs tors. theta energy: -235.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2552.078428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.078428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.078428 (E_RNA) where: Base-Base interactions energy: -1821.577 where: short stacking energy: -746.525 Base-Backbone interact. energy: -1.363 local terms energy: -729.138434 where: bonds (distance) C4'-P energy: -129.064 bonds (distance) P-C4' energy: -112.266 flat angles C4'-P-C4' energy: -152.426 flat angles P-C4'-P energy: -97.260 tors. eta vs tors. theta energy: -238.122 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: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2497.009738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.009738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.009738 (E_RNA) where: Base-Base interactions energy: -1759.253 where: short stacking energy: -716.419 Base-Backbone interact. energy: -1.049 local terms energy: -736.707340 where: bonds (distance) C4'-P energy: -111.603 bonds (distance) P-C4' energy: -139.086 flat angles C4'-P-C4' energy: -152.450 flat angles P-C4'-P energy: -106.287 tors. eta vs tors. theta energy: -227.282 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: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2437.122087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.122087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.122087 (E_RNA) where: Base-Base interactions energy: -1710.956 where: short stacking energy: -709.753 Base-Backbone interact. energy: 1.893 local terms energy: -728.058674 where: bonds (distance) C4'-P energy: -118.900 bonds (distance) P-C4' energy: -123.091 flat angles C4'-P-C4' energy: -151.353 flat angles P-C4'-P energy: -104.911 tors. eta vs tors. theta energy: -229.804 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: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2294.181217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.181217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.181217 (E_RNA) where: Base-Base interactions energy: -1627.406 where: short stacking energy: -678.067 Base-Backbone interact. energy: -1.749 local terms energy: -665.027041 where: bonds (distance) C4'-P energy: -119.451 bonds (distance) P-C4' energy: -118.655 flat angles C4'-P-C4' energy: -125.038 flat angles P-C4'-P energy: -95.749 tors. eta vs tors. theta energy: -206.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2144.261771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.261771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.261771 (E_RNA) where: Base-Base interactions energy: -1510.165 where: short stacking energy: -600.696 Base-Backbone interact. energy: -1.153 local terms energy: -632.944322 where: bonds (distance) C4'-P energy: -115.959 bonds (distance) P-C4' energy: -104.184 flat angles C4'-P-C4' energy: -143.175 flat angles P-C4'-P energy: -88.285 tors. eta vs tors. theta energy: -181.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -2143.859729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.859729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.859729 (E_RNA) where: Base-Base interactions energy: -1539.917 where: short stacking energy: -623.356 Base-Backbone interact. energy: -2.315 local terms energy: -601.627756 where: bonds (distance) C4'-P energy: -94.493 bonds (distance) P-C4' energy: -105.339 flat angles C4'-P-C4' energy: -131.745 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -182.822 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: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1844.761704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.761704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.761704 (E_RNA) where: Base-Base interactions energy: -1275.940 where: short stacking energy: -536.696 Base-Backbone interact. energy: -1.682 local terms energy: -567.139468 where: bonds (distance) C4'-P energy: -105.446 bonds (distance) P-C4' energy: -107.233 flat angles C4'-P-C4' energy: -121.947 flat angles P-C4'-P energy: -88.110 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: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -864.207512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.207512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.207512 (E_RNA) where: Base-Base interactions energy: -475.943 where: short stacking energy: -231.074 Base-Backbone interact. energy: 3.751 local terms energy: -392.015362 where: bonds (distance) C4'-P energy: -115.680 bonds (distance) P-C4' energy: -110.780 flat angles C4'-P-C4' energy: -102.618 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: -13.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2716.920655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.920655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.920655 (E_RNA) where: Base-Base interactions energy: -1927.292 where: short stacking energy: -773.436 Base-Backbone interact. energy: -3.146 local terms energy: -786.482966 where: bonds (distance) C4'-P energy: -141.116 bonds (distance) P-C4' energy: -133.044 flat angles C4'-P-C4' energy: -155.978 flat angles P-C4'-P energy: -121.441 tors. eta vs tors. theta energy: -234.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2612.831196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.831196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.831196 (E_RNA) where: Base-Base interactions energy: -1845.832 where: short stacking energy: -760.072 Base-Backbone interact. energy: -1.185 local terms energy: -765.814261 where: bonds (distance) C4'-P energy: -141.745 bonds (distance) P-C4' energy: -121.870 flat angles C4'-P-C4' energy: -156.437 flat angles P-C4'-P energy: -114.202 tors. eta vs tors. theta energy: -231.561 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: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2567.101168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.101168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.101168 (E_RNA) where: Base-Base interactions energy: -1817.062 where: short stacking energy: -770.538 Base-Backbone interact. energy: -2.184 local terms energy: -747.855148 where: bonds (distance) C4'-P energy: -123.777 bonds (distance) P-C4' energy: -122.369 flat angles C4'-P-C4' energy: -156.310 flat angles P-C4'-P energy: -103.978 tors. eta vs tors. theta energy: -241.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2495.772625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.772625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.772625 (E_RNA) where: Base-Base interactions energy: -1776.855 where: short stacking energy: -724.764 Base-Backbone interact. energy: -0.696 local terms energy: -718.221368 where: bonds (distance) C4'-P energy: -118.847 bonds (distance) P-C4' energy: -119.319 flat angles C4'-P-C4' energy: -153.649 flat angles P-C4'-P energy: -102.076 tors. eta vs tors. theta energy: -224.330 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: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2420.848228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.848228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.848228 (E_RNA) where: Base-Base interactions energy: -1708.860 where: short stacking energy: -688.803 Base-Backbone interact. energy: 3.733 local terms energy: -715.720944 where: bonds (distance) C4'-P energy: -119.808 bonds (distance) P-C4' energy: -131.929 flat angles C4'-P-C4' energy: -142.518 flat angles P-C4'-P energy: -97.606 tors. eta vs tors. theta energy: -223.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2355.978589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.978589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.978589 (E_RNA) where: Base-Base interactions energy: -1662.490 where: short stacking energy: -701.845 Base-Backbone interact. energy: 2.148 local terms energy: -695.635876 where: bonds (distance) C4'-P energy: -104.879 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -154.592 flat angles P-C4'-P energy: -93.306 tors. eta vs tors. theta energy: -217.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2217.389091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.389091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.389091 (E_RNA) where: Base-Base interactions energy: -1589.859 where: short stacking energy: -642.296 Base-Backbone interact. energy: -1.993 local terms energy: -625.536716 where: bonds (distance) C4'-P energy: -115.397 bonds (distance) P-C4' energy: -113.134 flat angles C4'-P-C4' energy: -121.733 flat angles P-C4'-P energy: -86.326 tors. eta vs tors. theta energy: -188.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -2108.798959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.798959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.798959 (E_RNA) where: Base-Base interactions energy: -1525.004 where: short stacking energy: -614.293 Base-Backbone interact. energy: 1.230 local terms energy: -585.025514 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -105.952 flat angles C4'-P-C4' energy: -118.996 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -182.589 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: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1733.477272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.477272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.477272 (E_RNA) where: Base-Base interactions energy: -1204.180 where: short stacking energy: -498.393 Base-Backbone interact. energy: 0.883 local terms energy: -530.180342 where: bonds (distance) C4'-P energy: -93.326 bonds (distance) P-C4' energy: -119.717 flat angles C4'-P-C4' energy: -113.708 flat angles P-C4'-P energy: -83.788 tors. eta vs tors. theta energy: -119.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -790.986612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.986612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.986612 (E_RNA) where: Base-Base interactions energy: -434.217 where: short stacking energy: -212.352 Base-Backbone interact. energy: 2.124 local terms energy: -358.893998 where: bonds (distance) C4'-P energy: -92.718 bonds (distance) P-C4' energy: -108.804 flat angles C4'-P-C4' energy: -98.432 flat angles P-C4'-P energy: -52.707 tors. eta vs tors. theta energy: -6.233 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: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2717.040331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.040331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.040331 (E_RNA) where: Base-Base interactions energy: -1932.055 where: short stacking energy: -761.562 Base-Backbone interact. energy: -0.398 local terms energy: -784.587428 where: bonds (distance) C4'-P energy: -137.633 bonds (distance) P-C4' energy: -145.146 flat angles C4'-P-C4' energy: -154.381 flat angles P-C4'-P energy: -123.628 tors. eta vs tors. theta energy: -223.799 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: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2651.067667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.067667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.067667 (E_RNA) where: Base-Base interactions energy: -1890.189 where: short stacking energy: -754.101 Base-Backbone interact. energy: -2.792 local terms energy: -758.087059 where: bonds (distance) C4'-P energy: -130.958 bonds (distance) P-C4' energy: -139.366 flat angles C4'-P-C4' energy: -156.291 flat angles P-C4'-P energy: -109.150 tors. eta vs tors. theta energy: -222.322 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: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2526.105258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.105258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.105258 (E_RNA) where: Base-Base interactions energy: -1792.629 where: short stacking energy: -743.110 Base-Backbone interact. energy: 2.825 local terms energy: -736.301377 where: bonds (distance) C4'-P energy: -126.279 bonds (distance) P-C4' energy: -129.910 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -107.890 tors. eta vs tors. theta energy: -231.447 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: 455 Temperature: 1.050000 Total energy: -2468.563578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.563578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.563578 (E_RNA) where: Base-Base interactions energy: -1734.593 where: short stacking energy: -713.352 Base-Backbone interact. energy: 2.118 local terms energy: -736.089377 where: bonds (distance) C4'-P energy: -132.419 bonds (distance) P-C4' energy: -139.008 flat angles C4'-P-C4' energy: -153.153 flat angles P-C4'-P energy: -98.818 tors. eta vs tors. theta energy: -212.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2390.213787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.213787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.213787 (E_RNA) where: Base-Base interactions energy: -1705.074 where: short stacking energy: -687.994 Base-Backbone interact. energy: -0.835 local terms energy: -684.304999 where: bonds (distance) C4'-P energy: -124.234 bonds (distance) P-C4' energy: -121.563 flat angles C4'-P-C4' energy: -146.606 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -200.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2319.776020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.776020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.776020 (E_RNA) where: Base-Base interactions energy: -1650.004 where: short stacking energy: -662.851 Base-Backbone interact. energy: -2.472 local terms energy: -667.300067 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -109.428 flat angles C4'-P-C4' energy: -138.691 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -217.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2255.720173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.720173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.720173 (E_RNA) where: Base-Base interactions energy: -1607.388 where: short stacking energy: -632.029 Base-Backbone interact. energy: 0.524 local terms energy: -648.856090 where: bonds (distance) C4'-P energy: -116.788 bonds (distance) P-C4' energy: -112.607 flat angles C4'-P-C4' energy: -147.572 flat angles P-C4'-P energy: -83.574 tors. eta vs tors. theta energy: -188.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -2090.324626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.324626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.324626 (E_RNA) where: Base-Base interactions energy: -1492.142 where: short stacking energy: -624.291 Base-Backbone interact. energy: -0.437 local terms energy: -597.745015 where: bonds (distance) C4'-P energy: -100.662 bonds (distance) P-C4' energy: -103.962 flat angles C4'-P-C4' energy: -133.408 flat angles P-C4'-P energy: -81.925 tors. eta vs tors. theta energy: -177.788 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: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1760.714120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.714120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.714120 (E_RNA) where: Base-Base interactions energy: -1231.936 where: short stacking energy: -507.270 Base-Backbone interact. energy: -2.192 local terms energy: -526.586559 where: bonds (distance) C4'-P energy: -99.757 bonds (distance) P-C4' energy: -106.361 flat angles C4'-P-C4' energy: -114.102 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: -129.138 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: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -857.244562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.244562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.244562 (E_RNA) where: Base-Base interactions energy: -436.323 where: short stacking energy: -217.027 Base-Backbone interact. energy: 6.963 local terms energy: -427.884170 where: bonds (distance) C4'-P energy: -127.821 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -94.330 flat angles P-C4'-P energy: -66.272 tors. eta vs tors. theta energy: -15.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2697.253232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.253232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.253232 (E_RNA) where: Base-Base interactions energy: -1939.323 where: short stacking energy: -775.727 Base-Backbone interact. energy: -2.051 local terms energy: -755.879238 where: bonds (distance) C4'-P energy: -129.960 bonds (distance) P-C4' energy: -133.051 flat angles C4'-P-C4' energy: -153.617 flat angles P-C4'-P energy: -106.266 tors. eta vs tors. theta energy: -232.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2657.397391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.397391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.397391 (E_RNA) where: Base-Base interactions energy: -1880.587 where: short stacking energy: -764.939 Base-Backbone interact. energy: -1.285 local terms energy: -775.524604 where: bonds (distance) C4'-P energy: -125.929 bonds (distance) P-C4' energy: -139.170 flat angles C4'-P-C4' energy: -154.246 flat angles P-C4'-P energy: -129.188 tors. eta vs tors. theta energy: -226.992 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: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2515.312375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.312375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.312375 (E_RNA) where: Base-Base interactions energy: -1781.378 where: short stacking energy: -736.142 Base-Backbone interact. energy: -0.590 local terms energy: -733.344089 where: bonds (distance) C4'-P energy: -122.797 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -155.144 flat angles P-C4'-P energy: -106.559 tors. eta vs tors. theta energy: -220.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2493.313878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.313878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.313878 (E_RNA) where: Base-Base interactions energy: -1754.973 where: short stacking energy: -729.380 Base-Backbone interact. energy: -0.324 local terms energy: -738.016792 where: bonds (distance) C4'-P energy: -121.491 bonds (distance) P-C4' energy: -125.797 flat angles C4'-P-C4' energy: -153.824 flat angles P-C4'-P energy: -104.683 tors. eta vs tors. theta energy: -232.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2409.324318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.324318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.324318 (E_RNA) where: Base-Base interactions energy: -1692.140 where: short stacking energy: -683.424 Base-Backbone interact. energy: 1.150 local terms energy: -718.333934 where: bonds (distance) C4'-P energy: -122.009 bonds (distance) P-C4' energy: -132.591 flat angles C4'-P-C4' energy: -154.487 flat angles P-C4'-P energy: -94.923 tors. eta vs tors. theta energy: -214.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2346.067732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.067732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.067732 (E_RNA) where: Base-Base interactions energy: -1648.548 where: short stacking energy: -696.243 Base-Backbone interact. energy: -0.791 local terms energy: -696.728294 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -112.450 flat angles C4'-P-C4' energy: -142.597 flat angles P-C4'-P energy: -95.398 tors. eta vs tors. theta energy: -225.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2179.498713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.498713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.498713 (E_RNA) where: Base-Base interactions energy: -1516.054 where: short stacking energy: -627.591 Base-Backbone interact. energy: -0.451 local terms energy: -662.993651 where: bonds (distance) C4'-P energy: -119.935 bonds (distance) P-C4' energy: -129.405 flat angles C4'-P-C4' energy: -136.589 flat angles P-C4'-P energy: -85.592 tors. eta vs tors. theta energy: -191.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2039.402864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.402864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.402864 (E_RNA) where: Base-Base interactions energy: -1447.718 where: short stacking energy: -585.971 Base-Backbone interact. energy: -0.719 local terms energy: -590.966286 where: bonds (distance) C4'-P energy: -89.267 bonds (distance) P-C4' energy: -111.729 flat angles C4'-P-C4' energy: -125.874 flat angles P-C4'-P energy: -88.922 tors. eta vs tors. theta energy: -175.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1851.002429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.002429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.002429 (E_RNA) where: Base-Base interactions energy: -1297.142 where: short stacking energy: -541.584 Base-Backbone interact. energy: -1.677 local terms energy: -552.184020 where: bonds (distance) C4'-P energy: -107.506 bonds (distance) P-C4' energy: -106.673 flat angles C4'-P-C4' energy: -127.244 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -150.924 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: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -844.810496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.810496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.810496 (E_RNA) where: Base-Base interactions energy: -487.602 where: short stacking energy: -264.702 Base-Backbone interact. energy: -0.574 local terms energy: -356.634588 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -115.876 flat angles C4'-P-C4' energy: -83.387 flat angles P-C4'-P energy: -52.247 tors. eta vs tors. theta energy: -24.928 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: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2711.974325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.974325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.974325 (E_RNA) where: Base-Base interactions energy: -1933.328 where: short stacking energy: -768.759 Base-Backbone interact. energy: -4.628 local terms energy: -774.018152 where: bonds (distance) C4'-P energy: -132.468 bonds (distance) P-C4' energy: -134.219 flat angles C4'-P-C4' energy: -165.361 flat angles P-C4'-P energy: -106.036 tors. eta vs tors. theta energy: -235.934 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: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2682.324716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.324716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.324716 (E_RNA) where: Base-Base interactions energy: -1917.738 where: short stacking energy: -779.479 Base-Backbone interact. energy: -1.220 local terms energy: -763.366763 where: bonds (distance) C4'-P energy: -120.031 bonds (distance) P-C4' energy: -132.031 flat angles C4'-P-C4' energy: -154.626 flat angles P-C4'-P energy: -123.580 tors. eta vs tors. theta energy: -233.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2533.349599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.349599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.349599 (E_RNA) where: Base-Base interactions energy: -1790.129 where: short stacking energy: -732.460 Base-Backbone interact. energy: -2.195 local terms energy: -741.024976 where: bonds (distance) C4'-P energy: -126.677 bonds (distance) P-C4' energy: -130.703 flat angles C4'-P-C4' energy: -155.490 flat angles P-C4'-P energy: -105.358 tors. eta vs tors. theta energy: -222.797 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: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2458.310444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.310444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.310444 (E_RNA) where: Base-Base interactions energy: -1744.838 where: short stacking energy: -728.202 Base-Backbone interact. energy: 0.145 local terms energy: -713.616713 where: bonds (distance) C4'-P energy: -113.691 bonds (distance) P-C4' energy: -125.968 flat angles C4'-P-C4' energy: -143.795 flat angles P-C4'-P energy: -112.464 tors. eta vs tors. theta energy: -217.699 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2436.969483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.969483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.969483 (E_RNA) where: Base-Base interactions energy: -1718.351 where: short stacking energy: -685.581 Base-Backbone interact. energy: -2.132 local terms energy: -716.486994 where: bonds (distance) C4'-P energy: -124.101 bonds (distance) P-C4' energy: -123.606 flat angles C4'-P-C4' energy: -141.950 flat angles P-C4'-P energy: -110.374 tors. eta vs tors. theta energy: -216.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2347.857021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.857021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.857021 (E_RNA) where: Base-Base interactions energy: -1691.563 where: short stacking energy: -707.423 Base-Backbone interact. energy: -1.029 local terms energy: -655.264984 where: bonds (distance) C4'-P energy: -114.219 bonds (distance) P-C4' energy: -97.647 flat angles C4'-P-C4' energy: -149.517 flat angles P-C4'-P energy: -80.557 tors. eta vs tors. theta energy: -213.324 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: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2210.295408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.295408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.295408 (E_RNA) where: Base-Base interactions energy: -1552.113 where: short stacking energy: -634.266 Base-Backbone interact. energy: -2.552 local terms energy: -655.630374 where: bonds (distance) C4'-P energy: -109.516 bonds (distance) P-C4' energy: -123.187 flat angles C4'-P-C4' energy: -149.891 flat angles P-C4'-P energy: -85.315 tors. eta vs tors. theta energy: -187.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -2055.641005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.641005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.641005 (E_RNA) where: Base-Base interactions energy: -1453.420 where: short stacking energy: -594.519 Base-Backbone interact. energy: 2.573 local terms energy: -604.793548 where: bonds (distance) C4'-P energy: -107.758 bonds (distance) P-C4' energy: -110.952 flat angles C4'-P-C4' energy: -127.289 flat angles P-C4'-P energy: -87.612 tors. eta vs tors. theta energy: -171.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1887.361564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.361564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.361564 (E_RNA) where: Base-Base interactions energy: -1296.905 where: short stacking energy: -560.173 Base-Backbone interact. energy: 0.645 local terms energy: -591.101700 where: bonds (distance) C4'-P energy: -107.929 bonds (distance) P-C4' energy: -127.082 flat angles C4'-P-C4' energy: -120.833 flat angles P-C4'-P energy: -90.087 tors. eta vs tors. theta energy: -145.171 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: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -800.073851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.073851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.073851 (E_RNA) where: Base-Base interactions energy: -459.052 where: short stacking energy: -233.073 Base-Backbone interact. energy: -1.666 local terms energy: -339.356047 where: bonds (distance) C4'-P energy: -97.778 bonds (distance) P-C4' energy: -95.128 flat angles C4'-P-C4' energy: -86.893 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: -9.766 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: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2696.700861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.700861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.700861 (E_RNA) where: Base-Base interactions energy: -1939.423 where: short stacking energy: -770.146 Base-Backbone interact. energy: -0.932 local terms energy: -756.346585 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -139.863 flat angles C4'-P-C4' energy: -151.133 flat angles P-C4'-P energy: -107.916 tors. eta vs tors. theta energy: -228.361 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: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2645.260838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.260838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.260838 (E_RNA) where: Base-Base interactions energy: -1878.686 where: short stacking energy: -762.762 Base-Backbone interact. energy: -2.212 local terms energy: -764.362823 where: bonds (distance) C4'-P energy: -110.726 bonds (distance) P-C4' energy: -128.814 flat angles C4'-P-C4' energy: -166.486 flat angles P-C4'-P energy: -113.137 tors. eta vs tors. theta energy: -245.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2530.764216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.764216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.764216 (E_RNA) where: Base-Base interactions energy: -1785.130 where: short stacking energy: -753.804 Base-Backbone interact. energy: 0.910 local terms energy: -746.543897 where: bonds (distance) C4'-P energy: -116.246 bonds (distance) P-C4' energy: -133.301 flat angles C4'-P-C4' energy: -155.009 flat angles P-C4'-P energy: -109.721 tors. eta vs tors. theta energy: -232.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2483.045691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.045691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.045691 (E_RNA) where: Base-Base interactions energy: -1741.803 where: short stacking energy: -719.617 Base-Backbone interact. energy: -1.055 local terms energy: -740.187955 where: bonds (distance) C4'-P energy: -133.884 bonds (distance) P-C4' energy: -127.731 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -106.783 tors. eta vs tors. theta energy: -220.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2457.667519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.667519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.667519 (E_RNA) where: Base-Base interactions energy: -1749.713 where: short stacking energy: -698.841 Base-Backbone interact. energy: -1.137 local terms energy: -706.817393 where: bonds (distance) C4'-P energy: -124.128 bonds (distance) P-C4' energy: -117.929 flat angles C4'-P-C4' energy: -147.907 flat angles P-C4'-P energy: -96.589 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: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2355.252854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.252854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.252854 (E_RNA) where: Base-Base interactions energy: -1703.333 where: short stacking energy: -695.868 Base-Backbone interact. energy: -1.092 local terms energy: -650.828265 where: bonds (distance) C4'-P energy: -99.450 bonds (distance) P-C4' energy: -105.667 flat angles C4'-P-C4' energy: -140.366 flat angles P-C4'-P energy: -93.200 tors. eta vs tors. theta energy: -212.146 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2200.874052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.874052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.874052 (E_RNA) where: Base-Base interactions energy: -1575.008 where: short stacking energy: -629.371 Base-Backbone interact. energy: 0.410 local terms energy: -626.276191 where: bonds (distance) C4'-P energy: -107.528 bonds (distance) P-C4' energy: -114.803 flat angles C4'-P-C4' energy: -139.936 flat angles P-C4'-P energy: -69.172 tors. eta vs tors. theta energy: -194.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -2025.357799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.357799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.357799 (E_RNA) where: Base-Base interactions energy: -1426.554 where: short stacking energy: -570.631 Base-Backbone interact. energy: 3.251 local terms energy: -602.055639 where: bonds (distance) C4'-P energy: -116.992 bonds (distance) P-C4' energy: -107.950 flat angles C4'-P-C4' energy: -128.888 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -175.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1854.042667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.042667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.042667 (E_RNA) where: Base-Base interactions energy: -1303.714 where: short stacking energy: -530.761 Base-Backbone interact. energy: 3.812 local terms energy: -554.140343 where: bonds (distance) C4'-P energy: -103.314 bonds (distance) P-C4' energy: -101.912 flat angles C4'-P-C4' energy: -115.321 flat angles P-C4'-P energy: -85.076 tors. eta vs tors. theta energy: -148.517 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: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -803.854522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.854522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.854522 (E_RNA) where: Base-Base interactions energy: -428.052 where: short stacking energy: -231.357 Base-Backbone interact. energy: 3.813 local terms energy: -379.615620 where: bonds (distance) C4'-P energy: -102.060 bonds (distance) P-C4' energy: -109.629 flat angles C4'-P-C4' energy: -89.284 flat angles P-C4'-P energy: -58.044 tors. eta vs tors. theta energy: -20.599 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: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2704.549286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.549286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.549286 (E_RNA) where: Base-Base interactions energy: -1903.093 where: short stacking energy: -761.770 Base-Backbone interact. energy: -3.754 local terms energy: -797.703215 where: bonds (distance) C4'-P energy: -146.506 bonds (distance) P-C4' energy: -135.927 flat angles C4'-P-C4' energy: -167.722 flat angles P-C4'-P energy: -113.954 tors. eta vs tors. theta energy: -233.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2670.426249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.426249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.426249 (E_RNA) where: Base-Base interactions energy: -1881.643 where: short stacking energy: -757.132 Base-Backbone interact. energy: -4.548 local terms energy: -784.235769 where: bonds (distance) C4'-P energy: -135.541 bonds (distance) P-C4' energy: -134.737 flat angles C4'-P-C4' energy: -162.043 flat angles P-C4'-P energy: -116.494 tors. eta vs tors. theta energy: -235.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2514.846427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.846427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.846427 (E_RNA) where: Base-Base interactions energy: -1795.963 where: short stacking energy: -756.762 Base-Backbone interact. energy: -0.530 local terms energy: -718.354214 where: bonds (distance) C4'-P energy: -126.006 bonds (distance) P-C4' energy: -134.262 flat angles C4'-P-C4' energy: -151.436 flat angles P-C4'-P energy: -82.058 tors. eta vs tors. theta energy: -224.592 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: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2463.451302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.451302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.451302 (E_RNA) where: Base-Base interactions energy: -1755.265 where: short stacking energy: -710.111 Base-Backbone interact. energy: -0.500 local terms energy: -707.686028 where: bonds (distance) C4'-P energy: -104.113 bonds (distance) P-C4' energy: -119.030 flat angles C4'-P-C4' energy: -152.794 flat angles P-C4'-P energy: -106.127 tors. eta vs tors. theta energy: -225.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2412.814048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.814048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.814048 (E_RNA) where: Base-Base interactions energy: -1724.831 where: short stacking energy: -727.264 Base-Backbone interact. energy: -2.221 local terms energy: -685.761728 where: bonds (distance) C4'-P energy: -116.139 bonds (distance) P-C4' energy: -110.739 flat angles C4'-P-C4' energy: -143.317 flat angles P-C4'-P energy: -100.223 tors. eta vs tors. theta energy: -215.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2343.691166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.691166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.691166 (E_RNA) where: Base-Base interactions energy: -1687.046 where: short stacking energy: -690.909 Base-Backbone interact. energy: 0.029 local terms energy: -656.673799 where: bonds (distance) C4'-P energy: -111.982 bonds (distance) P-C4' energy: -106.477 flat angles C4'-P-C4' energy: -136.256 flat angles P-C4'-P energy: -88.004 tors. eta vs tors. theta energy: -213.955 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: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2201.923164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.923164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.923164 (E_RNA) where: Base-Base interactions energy: -1587.829 where: short stacking energy: -637.429 Base-Backbone interact. energy: -1.080 local terms energy: -613.014024 where: bonds (distance) C4'-P energy: -105.162 bonds (distance) P-C4' energy: -114.803 flat angles C4'-P-C4' energy: -114.603 flat angles P-C4'-P energy: -88.831 tors. eta vs tors. theta energy: -189.616 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: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -2092.694735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.694735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.694735 (E_RNA) where: Base-Base interactions energy: -1482.782 where: short stacking energy: -594.517 Base-Backbone interact. energy: -1.931 local terms energy: -607.981975 where: bonds (distance) C4'-P energy: -114.387 bonds (distance) P-C4' energy: -92.921 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -91.539 tors. eta vs tors. theta energy: -181.598 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: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1677.491330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.491330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.491330 (E_RNA) where: Base-Base interactions energy: -1145.485 where: short stacking energy: -461.510 Base-Backbone interact. energy: 5.364 local terms energy: -537.369847 where: bonds (distance) C4'-P energy: -100.844 bonds (distance) P-C4' energy: -111.181 flat angles C4'-P-C4' energy: -125.993 flat angles P-C4'-P energy: -79.226 tors. eta vs tors. theta energy: -120.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -830.450353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.450353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.450353 (E_RNA) where: Base-Base interactions energy: -453.578 where: short stacking energy: -234.829 Base-Backbone interact. energy: 1.407 local terms energy: -378.279751 where: bonds (distance) C4'-P energy: -122.518 bonds (distance) P-C4' energy: -92.247 flat angles C4'-P-C4' energy: -91.791 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -19.042 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: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2697.578278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.578278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.578278 (E_RNA) where: Base-Base interactions energy: -1951.997 where: short stacking energy: -787.363 Base-Backbone interact. energy: 0.454 local terms energy: -746.035723 where: bonds (distance) C4'-P energy: -131.511 bonds (distance) P-C4' energy: -123.073 flat angles C4'-P-C4' energy: -148.874 flat angles P-C4'-P energy: -112.073 tors. eta vs tors. theta energy: -230.505 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: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2657.838205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.838205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.838205 (E_RNA) where: Base-Base interactions energy: -1892.268 where: short stacking energy: -763.531 Base-Backbone interact. energy: -3.635 local terms energy: -761.934965 where: bonds (distance) C4'-P energy: -108.171 bonds (distance) P-C4' energy: -142.139 flat angles C4'-P-C4' energy: -155.232 flat angles P-C4'-P energy: -118.402 tors. eta vs tors. theta energy: -237.991 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: 3, replica: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2511.856548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.856548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.856548 (E_RNA) where: Base-Base interactions energy: -1756.207 where: short stacking energy: -740.208 Base-Backbone interact. energy: -1.548 local terms energy: -754.101640 where: bonds (distance) C4'-P energy: -119.559 bonds (distance) P-C4' energy: -137.227 flat angles C4'-P-C4' energy: -160.072 flat angles P-C4'-P energy: -109.402 tors. eta vs tors. theta energy: -227.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2453.947315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.947315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.947315 (E_RNA) where: Base-Base interactions energy: -1735.094 where: short stacking energy: -719.211 Base-Backbone interact. energy: 0.562 local terms energy: -719.415467 where: bonds (distance) C4'-P energy: -112.678 bonds (distance) P-C4' energy: -120.591 flat angles C4'-P-C4' energy: -160.559 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -222.184 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: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2422.345865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.345865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.345865 (E_RNA) where: Base-Base interactions energy: -1711.751 where: short stacking energy: -717.255 Base-Backbone interact. energy: 0.266 local terms energy: -710.860907 where: bonds (distance) C4'-P energy: -103.801 bonds (distance) P-C4' energy: -121.878 flat angles C4'-P-C4' energy: -161.003 flat angles P-C4'-P energy: -96.553 tors. eta vs tors. theta energy: -227.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2316.019914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.019914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.019914 (E_RNA) where: Base-Base interactions energy: -1657.366 where: short stacking energy: -672.920 Base-Backbone interact. energy: -1.362 local terms energy: -657.291884 where: bonds (distance) C4'-P energy: -102.204 bonds (distance) P-C4' energy: -120.322 flat angles C4'-P-C4' energy: -137.077 flat angles P-C4'-P energy: -86.623 tors. eta vs tors. theta energy: -211.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2183.935007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.935007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.935007 (E_RNA) where: Base-Base interactions energy: -1563.436 where: short stacking energy: -619.835 Base-Backbone interact. energy: 3.259 local terms energy: -623.757986 where: bonds (distance) C4'-P energy: -104.677 bonds (distance) P-C4' energy: -127.564 flat angles C4'-P-C4' energy: -132.014 flat angles P-C4'-P energy: -77.740 tors. eta vs tors. theta energy: -181.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -2077.502007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.502007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.502007 (E_RNA) where: Base-Base interactions energy: -1428.311 where: short stacking energy: -593.894 Base-Backbone interact. energy: 1.460 local terms energy: -650.650750 where: bonds (distance) C4'-P energy: -110.328 bonds (distance) P-C4' energy: -136.188 flat angles C4'-P-C4' energy: -129.560 flat angles P-C4'-P energy: -94.547 tors. eta vs tors. theta energy: -180.028 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: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1839.011138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.011138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.011138 (E_RNA) where: Base-Base interactions energy: -1263.575 where: short stacking energy: -525.257 Base-Backbone interact. energy: -1.105 local terms energy: -574.331102 where: bonds (distance) C4'-P energy: -121.480 bonds (distance) P-C4' energy: -112.419 flat angles C4'-P-C4' energy: -126.901 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -152.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -900.280027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.280027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.280027 (E_RNA) where: Base-Base interactions energy: -478.416 where: short stacking energy: -253.223 Base-Backbone interact. energy: -1.017 local terms energy: -420.847260 where: bonds (distance) C4'-P energy: -108.021 bonds (distance) P-C4' energy: -106.335 flat angles C4'-P-C4' energy: -111.873 flat angles P-C4'-P energy: -51.501 tors. eta vs tors. theta energy: -43.118 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: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2684.465252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.465252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.465252 (E_RNA) where: Base-Base interactions energy: -1921.268 where: short stacking energy: -758.639 Base-Backbone interact. energy: -1.083 local terms energy: -762.113950 where: bonds (distance) C4'-P energy: -136.635 bonds (distance) P-C4' energy: -137.240 flat angles C4'-P-C4' energy: -154.005 flat angles P-C4'-P energy: -105.978 tors. eta vs tors. theta energy: -228.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2661.795740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.795740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.795740 (E_RNA) where: Base-Base interactions energy: -1922.305 where: short stacking energy: -768.970 Base-Backbone interact. energy: -2.920 local terms energy: -736.570578 where: bonds (distance) C4'-P energy: -131.635 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -151.877 flat angles P-C4'-P energy: -100.555 tors. eta vs tors. theta energy: -227.411 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: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2516.500786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.500786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.500786 (E_RNA) where: Base-Base interactions energy: -1776.228 where: short stacking energy: -742.481 Base-Backbone interact. energy: -1.714 local terms energy: -738.558684 where: bonds (distance) C4'-P energy: -121.733 bonds (distance) P-C4' energy: -125.152 flat angles C4'-P-C4' energy: -150.779 flat angles P-C4'-P energy: -110.364 tors. eta vs tors. theta energy: -230.530 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: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2485.205758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.205758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.205758 (E_RNA) where: Base-Base interactions energy: -1780.799 where: short stacking energy: -720.931 Base-Backbone interact. energy: -2.980 local terms energy: -701.426730 where: bonds (distance) C4'-P energy: -110.268 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -144.056 flat angles P-C4'-P energy: -110.851 tors. eta vs tors. theta energy: -217.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2409.900754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.900754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.900754 (E_RNA) where: Base-Base interactions energy: -1728.217 where: short stacking energy: -694.584 Base-Backbone interact. energy: -2.845 local terms energy: -678.838687 where: bonds (distance) C4'-P energy: -125.022 bonds (distance) P-C4' energy: -92.166 flat angles C4'-P-C4' energy: -148.844 flat angles P-C4'-P energy: -97.865 tors. eta vs tors. theta energy: -214.942 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: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2359.960350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.960350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.960350 (E_RNA) where: Base-Base interactions energy: -1689.629 where: short stacking energy: -681.648 Base-Backbone interact. energy: -1.013 local terms energy: -669.317761 where: bonds (distance) C4'-P energy: -113.561 bonds (distance) P-C4' energy: -100.088 flat angles C4'-P-C4' energy: -143.080 flat angles P-C4'-P energy: -99.163 tors. eta vs tors. theta energy: -213.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2217.221017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.221017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.221017 (E_RNA) where: Base-Base interactions energy: -1563.333 where: short stacking energy: -605.996 Base-Backbone interact. energy: -2.853 local terms energy: -651.034632 where: bonds (distance) C4'-P energy: -124.941 bonds (distance) P-C4' energy: -108.513 flat angles C4'-P-C4' energy: -134.898 flat angles P-C4'-P energy: -85.218 tors. eta vs tors. theta energy: -197.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -2050.550182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.550182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.550182 (E_RNA) where: Base-Base interactions energy: -1452.518 where: short stacking energy: -601.037 Base-Backbone interact. energy: -3.106 local terms energy: -594.926937 where: bonds (distance) C4'-P energy: -100.079 bonds (distance) P-C4' energy: -123.230 flat angles C4'-P-C4' energy: -123.464 flat angles P-C4'-P energy: -82.723 tors. eta vs tors. theta energy: -165.431 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: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1871.377759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.377759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.377759 (E_RNA) where: Base-Base interactions energy: -1295.099 where: short stacking energy: -558.064 Base-Backbone interact. energy: -1.149 local terms energy: -575.129480 where: bonds (distance) C4'-P energy: -95.370 bonds (distance) P-C4' energy: -110.050 flat angles C4'-P-C4' energy: -124.504 flat angles P-C4'-P energy: -83.525 tors. eta vs tors. theta energy: -161.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -866.119265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.119265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.119265 (E_RNA) where: Base-Base interactions energy: -487.535 where: short stacking energy: -262.542 Base-Backbone interact. energy: 5.845 local terms energy: -384.429105 where: bonds (distance) C4'-P energy: -76.969 bonds (distance) P-C4' energy: -100.823 flat angles C4'-P-C4' energy: -107.820 flat angles P-C4'-P energy: -63.229 tors. eta vs tors. theta energy: -35.588 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: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2711.578656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.578656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.578656 (E_RNA) where: Base-Base interactions energy: -1933.472 where: short stacking energy: -777.441 Base-Backbone interact. energy: -0.585 local terms energy: -777.521646 where: bonds (distance) C4'-P energy: -143.486 bonds (distance) P-C4' energy: -130.657 flat angles C4'-P-C4' energy: -162.103 flat angles P-C4'-P energy: -109.590 tors. eta vs tors. theta energy: -231.686 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: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2663.445075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.445075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.445075 (E_RNA) where: Base-Base interactions energy: -1896.858 where: short stacking energy: -745.129 Base-Backbone interact. energy: -2.448 local terms energy: -764.138980 where: bonds (distance) C4'-P energy: -140.926 bonds (distance) P-C4' energy: -125.524 flat angles C4'-P-C4' energy: -153.975 flat angles P-C4'-P energy: -113.283 tors. eta vs tors. theta energy: -230.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2540.082723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.082723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.082723 (E_RNA) where: Base-Base interactions energy: -1802.883 where: short stacking energy: -750.104 Base-Backbone interact. energy: -1.218 local terms energy: -735.981583 where: bonds (distance) C4'-P energy: -138.814 bonds (distance) P-C4' energy: -118.126 flat angles C4'-P-C4' energy: -151.375 flat angles P-C4'-P energy: -97.813 tors. eta vs tors. theta energy: -229.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2456.874534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.874534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.874534 (E_RNA) where: Base-Base interactions energy: -1751.369 where: short stacking energy: -731.900 Base-Backbone interact. energy: -0.793 local terms energy: -704.712641 where: bonds (distance) C4'-P energy: -110.013 bonds (distance) P-C4' energy: -120.058 flat angles C4'-P-C4' energy: -143.174 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -231.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2413.674309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.674309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.674309 (E_RNA) where: Base-Base interactions energy: -1701.598 where: short stacking energy: -689.616 Base-Backbone interact. energy: -2.967 local terms energy: -709.109322 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -132.652 flat angles C4'-P-C4' energy: -146.640 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -210.489 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: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2360.474390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.474390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.474390 (E_RNA) where: Base-Base interactions energy: -1718.611 where: short stacking energy: -703.669 Base-Backbone interact. energy: 0.039 local terms energy: -641.902387 where: bonds (distance) C4'-P energy: -111.555 bonds (distance) P-C4' energy: -103.392 flat angles C4'-P-C4' energy: -145.415 flat angles P-C4'-P energy: -79.554 tors. eta vs tors. theta energy: -201.986 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: 462 Temperature: 1.200000 Total energy: -2226.315906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.315906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.315906 (E_RNA) where: Base-Base interactions energy: -1600.013 where: short stacking energy: -635.043 Base-Backbone interact. energy: 0.029 local terms energy: -626.331211 where: bonds (distance) C4'-P energy: -107.560 bonds (distance) P-C4' energy: -107.446 flat angles C4'-P-C4' energy: -135.636 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -187.337 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: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2031.312925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.312925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.312925 (E_RNA) where: Base-Base interactions energy: -1448.713 where: short stacking energy: -557.406 Base-Backbone interact. energy: 0.129 local terms energy: -582.729268 where: bonds (distance) C4'-P energy: -118.214 bonds (distance) P-C4' energy: -100.305 flat angles C4'-P-C4' energy: -129.969 flat angles P-C4'-P energy: -80.519 tors. eta vs tors. theta energy: -153.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1803.632204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.632204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.632204 (E_RNA) where: Base-Base interactions energy: -1272.808 where: short stacking energy: -521.585 Base-Backbone interact. energy: 0.202 local terms energy: -531.026059 where: bonds (distance) C4'-P energy: -96.447 bonds (distance) P-C4' energy: -107.508 flat angles C4'-P-C4' energy: -111.304 flat angles P-C4'-P energy: -76.694 tors. eta vs tors. theta energy: -139.073 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: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -890.455779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.455779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.455779 (E_RNA) where: Base-Base interactions energy: -482.872 where: short stacking energy: -241.685 Base-Backbone interact. energy: 6.187 local terms energy: -413.771101 where: bonds (distance) C4'-P energy: -114.592 bonds (distance) P-C4' energy: -129.383 flat angles C4'-P-C4' energy: -93.817 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: -13.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2695.588460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.588460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.588460 (E_RNA) where: Base-Base interactions energy: -1925.981 where: short stacking energy: -772.651 Base-Backbone interact. energy: -2.610 local terms energy: -766.997533 where: bonds (distance) C4'-P energy: -127.948 bonds (distance) P-C4' energy: -135.292 flat angles C4'-P-C4' energy: -164.388 flat angles P-C4'-P energy: -111.181 tors. eta vs tors. theta energy: -228.188 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: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2661.306718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.306718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.306718 (E_RNA) where: Base-Base interactions energy: -1908.497 where: short stacking energy: -769.160 Base-Backbone interact. energy: -2.635 local terms energy: -750.174710 where: bonds (distance) C4'-P energy: -126.453 bonds (distance) P-C4' energy: -137.121 flat angles C4'-P-C4' energy: -157.169 flat angles P-C4'-P energy: -95.466 tors. eta vs tors. theta energy: -233.965 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: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2516.958327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.958327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.958327 (E_RNA) where: Base-Base interactions energy: -1781.317 where: short stacking energy: -734.358 Base-Backbone interact. energy: -1.865 local terms energy: -733.776611 where: bonds (distance) C4'-P energy: -113.342 bonds (distance) P-C4' energy: -135.244 flat angles C4'-P-C4' energy: -147.517 flat angles P-C4'-P energy: -106.389 tors. eta vs tors. theta energy: -231.284 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: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2457.635462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.635462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.635462 (E_RNA) where: Base-Base interactions energy: -1745.407 where: short stacking energy: -717.399 Base-Backbone interact. energy: -2.257 local terms energy: -709.971064 where: bonds (distance) C4'-P energy: -129.065 bonds (distance) P-C4' energy: -115.312 flat angles C4'-P-C4' energy: -158.878 flat angles P-C4'-P energy: -79.659 tors. eta vs tors. theta energy: -227.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2425.634435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.634435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.634435 (E_RNA) where: Base-Base interactions energy: -1733.385 where: short stacking energy: -701.737 Base-Backbone interact. energy: 0.555 local terms energy: -692.805160 where: bonds (distance) C4'-P energy: -109.273 bonds (distance) P-C4' energy: -130.699 flat angles C4'-P-C4' energy: -137.553 flat angles P-C4'-P energy: -98.590 tors. eta vs tors. theta energy: -216.690 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: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2309.840052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.840052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.840052 (E_RNA) where: Base-Base interactions energy: -1632.262 where: short stacking energy: -671.130 Base-Backbone interact. energy: 3.545 local terms energy: -681.123133 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -124.402 flat angles C4'-P-C4' energy: -150.141 flat angles P-C4'-P energy: -87.352 tors. eta vs tors. theta energy: -206.580 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: 463 Temperature: 1.200000 Total energy: -2221.759617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.759617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.759617 (E_RNA) where: Base-Base interactions energy: -1553.258 where: short stacking energy: -647.242 Base-Backbone interact. energy: -4.017 local terms energy: -664.485393 where: bonds (distance) C4'-P energy: -108.387 bonds (distance) P-C4' energy: -116.039 flat angles C4'-P-C4' energy: -137.968 flat angles P-C4'-P energy: -98.019 tors. eta vs tors. theta energy: -204.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -2010.027957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.027957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.027957 (E_RNA) where: Base-Base interactions energy: -1427.491 where: short stacking energy: -579.320 Base-Backbone interact. energy: -1.076 local terms energy: -581.460048 where: bonds (distance) C4'-P energy: -113.739 bonds (distance) P-C4' energy: -103.458 flat angles C4'-P-C4' energy: -133.284 flat angles P-C4'-P energy: -70.297 tors. eta vs tors. theta energy: -160.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1761.583465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.583465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.583465 (E_RNA) where: Base-Base interactions energy: -1224.862 where: short stacking energy: -506.081 Base-Backbone interact. energy: 0.734 local terms energy: -537.455997 where: bonds (distance) C4'-P energy: -107.243 bonds (distance) P-C4' energy: -109.488 flat angles C4'-P-C4' energy: -122.492 flat angles P-C4'-P energy: -66.299 tors. eta vs tors. theta energy: -131.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -904.003737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.003737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.003737 (E_RNA) where: Base-Base interactions energy: -499.215 where: short stacking energy: -243.357 Base-Backbone interact. energy: -1.004 local terms energy: -403.785099 where: bonds (distance) C4'-P energy: -97.184 bonds (distance) P-C4' energy: -115.099 flat angles C4'-P-C4' energy: -103.251 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -15.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2724.837295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.837295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.837295 (E_RNA) where: Base-Base interactions energy: -1943.787 where: short stacking energy: -776.224 Base-Backbone interact. energy: -1.674 local terms energy: -779.376497 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -133.938 flat angles C4'-P-C4' energy: -160.776 flat angles P-C4'-P energy: -113.949 tors. eta vs tors. theta energy: -227.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2665.177231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.177231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.177231 (E_RNA) where: Base-Base interactions energy: -1883.403 where: short stacking energy: -738.693 Base-Backbone interact. energy: -3.278 local terms energy: -778.496765 where: bonds (distance) C4'-P energy: -134.596 bonds (distance) P-C4' energy: -147.300 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -106.137 tors. eta vs tors. theta energy: -234.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2521.968794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.968794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.968794 (E_RNA) where: Base-Base interactions energy: -1786.725 where: short stacking energy: -721.743 Base-Backbone interact. energy: -0.111 local terms energy: -735.132725 where: bonds (distance) C4'-P energy: -110.696 bonds (distance) P-C4' energy: -132.171 flat angles C4'-P-C4' energy: -161.438 flat angles P-C4'-P energy: -96.812 tors. eta vs tors. theta energy: -234.017 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: 464 Temperature: 1.050000 Total energy: -2449.613728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.613728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.613728 (E_RNA) where: Base-Base interactions energy: -1741.001 where: short stacking energy: -710.175 Base-Backbone interact. energy: -1.383 local terms energy: -707.230231 where: bonds (distance) C4'-P energy: -114.742 bonds (distance) P-C4' energy: -120.757 flat angles C4'-P-C4' energy: -152.409 flat angles P-C4'-P energy: -98.403 tors. eta vs tors. theta energy: -220.919 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: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2447.428522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.428522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.428522 (E_RNA) where: Base-Base interactions energy: -1759.944 where: short stacking energy: -725.310 Base-Backbone interact. energy: -0.556 local terms energy: -686.928464 where: bonds (distance) C4'-P energy: -117.000 bonds (distance) P-C4' energy: -118.850 flat angles C4'-P-C4' energy: -132.489 flat angles P-C4'-P energy: -98.158 tors. eta vs tors. theta energy: -220.432 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: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2304.671360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.671360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.671360 (E_RNA) where: Base-Base interactions energy: -1623.241 where: short stacking energy: -670.323 Base-Backbone interact. energy: -0.353 local terms energy: -681.077895 where: bonds (distance) C4'-P energy: -122.361 bonds (distance) P-C4' energy: -109.712 flat angles C4'-P-C4' energy: -131.382 flat angles P-C4'-P energy: -110.992 tors. eta vs tors. theta energy: -206.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2208.841315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.841315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.841315 (E_RNA) where: Base-Base interactions energy: -1539.165 where: short stacking energy: -638.019 Base-Backbone interact. energy: 0.433 local terms energy: -670.110263 where: bonds (distance) C4'-P energy: -118.950 bonds (distance) P-C4' energy: -127.426 flat angles C4'-P-C4' energy: -133.213 flat angles P-C4'-P energy: -104.317 tors. eta vs tors. theta energy: -186.205 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: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -2083.697734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.697734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.697734 (E_RNA) where: Base-Base interactions energy: -1474.699 where: short stacking energy: -597.102 Base-Backbone interact. energy: -4.124 local terms energy: -604.874686 where: bonds (distance) C4'-P energy: -115.840 bonds (distance) P-C4' energy: -109.146 flat angles C4'-P-C4' energy: -128.488 flat angles P-C4'-P energy: -71.320 tors. eta vs tors. theta energy: -180.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1845.497666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.497666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.497666 (E_RNA) where: Base-Base interactions energy: -1289.320 where: short stacking energy: -529.827 Base-Backbone interact. energy: 0.575 local terms energy: -556.752609 where: bonds (distance) C4'-P energy: -99.950 bonds (distance) P-C4' energy: -98.989 flat angles C4'-P-C4' energy: -122.018 flat angles P-C4'-P energy: -83.742 tors. eta vs tors. theta energy: -152.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -882.366785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.366785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.366785 (E_RNA) where: Base-Base interactions energy: -461.599 where: short stacking energy: -243.469 Base-Backbone interact. energy: -4.092 local terms energy: -416.675739 where: bonds (distance) C4'-P energy: -121.761 bonds (distance) P-C4' energy: -123.256 flat angles C4'-P-C4' energy: -103.028 flat angles P-C4'-P energy: -53.478 tors. eta vs tors. theta energy: -15.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2726.522149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.522149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.522149 (E_RNA) where: Base-Base interactions energy: -1932.445 where: short stacking energy: -775.729 Base-Backbone interact. energy: -1.912 local terms energy: -792.165526 where: bonds (distance) C4'-P energy: -149.082 bonds (distance) P-C4' energy: -123.496 flat angles C4'-P-C4' energy: -164.863 flat angles P-C4'-P energy: -122.325 tors. eta vs tors. theta energy: -232.398 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: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2637.953672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.953672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.953672 (E_RNA) where: Base-Base interactions energy: -1900.186 where: short stacking energy: -753.012 Base-Backbone interact. energy: -1.149 local terms energy: -736.618671 where: bonds (distance) C4'-P energy: -117.282 bonds (distance) P-C4' energy: -130.550 flat angles C4'-P-C4' energy: -154.984 flat angles P-C4'-P energy: -105.009 tors. eta vs tors. theta energy: -228.793 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: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2510.532778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.532778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.532778 (E_RNA) where: Base-Base interactions energy: -1778.561 where: short stacking energy: -742.553 Base-Backbone interact. energy: -0.266 local terms energy: -731.705922 where: bonds (distance) C4'-P energy: -128.643 bonds (distance) P-C4' energy: -115.940 flat angles C4'-P-C4' energy: -159.482 flat angles P-C4'-P energy: -107.983 tors. eta vs tors. theta energy: -219.657 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: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2465.970043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.970043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.970043 (E_RNA) where: Base-Base interactions energy: -1751.521 where: short stacking energy: -716.966 Base-Backbone interact. energy: -1.307 local terms energy: -713.142718 where: bonds (distance) C4'-P energy: -122.553 bonds (distance) P-C4' energy: -125.629 flat angles C4'-P-C4' energy: -144.329 flat angles P-C4'-P energy: -104.004 tors. eta vs tors. theta energy: -216.628 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: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2449.201282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.201282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.201282 (E_RNA) where: Base-Base interactions energy: -1733.769 where: short stacking energy: -694.987 Base-Backbone interact. energy: -0.036 local terms energy: -715.395769 where: bonds (distance) C4'-P energy: -125.806 bonds (distance) P-C4' energy: -117.595 flat angles C4'-P-C4' energy: -140.958 flat angles P-C4'-P energy: -103.955 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: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2275.083261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.083261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.083261 (E_RNA) where: Base-Base interactions energy: -1604.130 where: short stacking energy: -668.374 Base-Backbone interact. energy: 1.276 local terms energy: -672.229220 where: bonds (distance) C4'-P energy: -102.866 bonds (distance) P-C4' energy: -112.103 flat angles C4'-P-C4' energy: -142.585 flat angles P-C4'-P energy: -108.885 tors. eta vs tors. theta energy: -205.790 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: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2201.003298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.003298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.003298 (E_RNA) where: Base-Base interactions energy: -1555.342 where: short stacking energy: -642.615 Base-Backbone interact. energy: -2.695 local terms energy: -642.966370 where: bonds (distance) C4'-P energy: -102.863 bonds (distance) P-C4' energy: -104.241 flat angles C4'-P-C4' energy: -140.471 flat angles P-C4'-P energy: -100.536 tors. eta vs tors. theta energy: -194.855 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: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -2089.422217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.422217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.422217 (E_RNA) where: Base-Base interactions energy: -1461.576 where: short stacking energy: -579.062 Base-Backbone interact. energy: -2.267 local terms energy: -625.579579 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -110.114 flat angles C4'-P-C4' energy: -129.274 flat angles P-C4'-P energy: -90.312 tors. eta vs tors. theta energy: -178.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1726.673903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.673903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.673903 (E_RNA) where: Base-Base interactions energy: -1191.259 where: short stacking energy: -495.109 Base-Backbone interact. energy: -1.291 local terms energy: -534.124310 where: bonds (distance) C4'-P energy: -108.068 bonds (distance) P-C4' energy: -100.634 flat angles C4'-P-C4' energy: -126.964 flat angles P-C4'-P energy: -62.960 tors. eta vs tors. theta energy: -135.499 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: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -844.234997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.234997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.234997 (E_RNA) where: Base-Base interactions energy: -484.330 where: short stacking energy: -236.068 Base-Backbone interact. energy: 2.998 local terms energy: -362.903559 where: bonds (distance) C4'-P energy: -114.345 bonds (distance) P-C4' energy: -104.144 flat angles C4'-P-C4' energy: -91.291 flat angles P-C4'-P energy: -52.847 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2697.578205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.578205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.578205 (E_RNA) where: Base-Base interactions energy: -1926.409 where: short stacking energy: -785.831 Base-Backbone interact. energy: -0.856 local terms energy: -770.312939 where: bonds (distance) C4'-P energy: -134.113 bonds (distance) P-C4' energy: -137.935 flat angles C4'-P-C4' energy: -156.317 flat angles P-C4'-P energy: -104.305 tors. eta vs tors. theta energy: -237.642 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: 2, replica: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2680.647661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.647661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.647661 (E_RNA) where: Base-Base interactions energy: -1904.547 where: short stacking energy: -755.661 Base-Backbone interact. energy: -0.951 local terms energy: -775.149214 where: bonds (distance) C4'-P energy: -131.915 bonds (distance) P-C4' energy: -145.276 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -118.308 tors. eta vs tors. theta energy: -221.564 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: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2526.533411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.533411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.533411 (E_RNA) where: Base-Base interactions energy: -1798.983 where: short stacking energy: -766.416 Base-Backbone interact. energy: -2.149 local terms energy: -725.401213 where: bonds (distance) C4'-P energy: -122.765 bonds (distance) P-C4' energy: -121.752 flat angles C4'-P-C4' energy: -145.040 flat angles P-C4'-P energy: -105.594 tors. eta vs tors. theta energy: -230.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2440.468612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.468612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.468612 (E_RNA) where: Base-Base interactions energy: -1713.691 where: short stacking energy: -702.674 Base-Backbone interact. energy: 0.641 local terms energy: -727.419382 where: bonds (distance) C4'-P energy: -120.948 bonds (distance) P-C4' energy: -117.457 flat angles C4'-P-C4' energy: -149.835 flat angles P-C4'-P energy: -110.346 tors. eta vs tors. theta energy: -228.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2407.692623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.692623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.692623 (E_RNA) where: Base-Base interactions energy: -1732.594 where: short stacking energy: -702.232 Base-Backbone interact. energy: -0.217 local terms energy: -674.881887 where: bonds (distance) C4'-P energy: -112.068 bonds (distance) P-C4' energy: -100.743 flat angles C4'-P-C4' energy: -148.616 flat angles P-C4'-P energy: -93.225 tors. eta vs tors. theta energy: -220.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2293.360011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.360011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.360011 (E_RNA) where: Base-Base interactions energy: -1622.859 where: short stacking energy: -648.050 Base-Backbone interact. energy: -1.751 local terms energy: -668.750239 where: bonds (distance) C4'-P energy: -105.640 bonds (distance) P-C4' energy: -124.066 flat angles C4'-P-C4' energy: -142.768 flat angles P-C4'-P energy: -85.090 tors. eta vs tors. theta energy: -211.187 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: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2202.092570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.092570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.092570 (E_RNA) where: Base-Base interactions energy: -1554.830 where: short stacking energy: -603.735 Base-Backbone interact. energy: 3.197 local terms energy: -650.459361 where: bonds (distance) C4'-P energy: -114.770 bonds (distance) P-C4' energy: -121.039 flat angles C4'-P-C4' energy: -141.815 flat angles P-C4'-P energy: -97.094 tors. eta vs tors. theta energy: -175.741 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: 466 Temperature: 1.250000 Total energy: -2096.330035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.330035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.330035 (E_RNA) where: Base-Base interactions energy: -1480.715 where: short stacking energy: -577.917 Base-Backbone interact. energy: -0.723 local terms energy: -614.892326 where: bonds (distance) C4'-P energy: -111.056 bonds (distance) P-C4' energy: -114.900 flat angles C4'-P-C4' energy: -136.422 flat angles P-C4'-P energy: -71.775 tors. eta vs tors. theta energy: -180.740 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: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1802.214576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.214576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.214576 (E_RNA) where: Base-Base interactions energy: -1249.088 where: short stacking energy: -546.329 Base-Backbone interact. energy: -0.592 local terms energy: -552.535037 where: bonds (distance) C4'-P energy: -105.392 bonds (distance) P-C4' energy: -105.802 flat angles C4'-P-C4' energy: -119.234 flat angles P-C4'-P energy: -63.938 tors. eta vs tors. theta energy: -158.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -899.053154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.053154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.053154 (E_RNA) where: Base-Base interactions energy: -475.909 where: short stacking energy: -233.644 Base-Backbone interact. energy: -0.417 local terms energy: -422.727355 where: bonds (distance) C4'-P energy: -98.412 bonds (distance) P-C4' energy: -124.067 flat angles C4'-P-C4' energy: -103.132 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -37.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2673.579607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.579607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.579607 (E_RNA) where: Base-Base interactions energy: -1887.750 where: short stacking energy: -760.994 Base-Backbone interact. energy: -5.538 local terms energy: -780.291433 where: bonds (distance) C4'-P energy: -138.311 bonds (distance) P-C4' energy: -125.438 flat angles C4'-P-C4' energy: -156.823 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -236.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2671.566274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.566274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.566274 (E_RNA) where: Base-Base interactions energy: -1924.012 where: short stacking energy: -772.700 Base-Backbone interact. energy: 2.401 local terms energy: -749.955185 where: bonds (distance) C4'-P energy: -121.444 bonds (distance) P-C4' energy: -130.672 flat angles C4'-P-C4' energy: -154.976 flat angles P-C4'-P energy: -114.354 tors. eta vs tors. theta energy: -228.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2530.320988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.320988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.320988 (E_RNA) where: Base-Base interactions energy: -1780.887 where: short stacking energy: -729.801 Base-Backbone interact. energy: -1.835 local terms energy: -747.598954 where: bonds (distance) C4'-P energy: -124.872 bonds (distance) P-C4' energy: -138.222 flat angles C4'-P-C4' energy: -160.988 flat angles P-C4'-P energy: -92.018 tors. eta vs tors. theta energy: -231.500 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: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2459.944367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.944367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.944367 (E_RNA) where: Base-Base interactions energy: -1772.670 where: short stacking energy: -719.390 Base-Backbone interact. energy: -2.898 local terms energy: -684.375940 where: bonds (distance) C4'-P energy: -102.568 bonds (distance) P-C4' energy: -113.037 flat angles C4'-P-C4' energy: -151.938 flat angles P-C4'-P energy: -96.570 tors. eta vs tors. theta energy: -220.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2375.988498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.988498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.988498 (E_RNA) where: Base-Base interactions energy: -1681.079 where: short stacking energy: -687.752 Base-Backbone interact. energy: -0.692 local terms energy: -694.217304 where: bonds (distance) C4'-P energy: -103.605 bonds (distance) P-C4' energy: -131.593 flat angles C4'-P-C4' energy: -142.130 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -218.231 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: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2275.168201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.168201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.168201 (E_RNA) where: Base-Base interactions energy: -1619.206 where: short stacking energy: -657.794 Base-Backbone interact. energy: -0.273 local terms energy: -655.689413 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -120.100 flat angles C4'-P-C4' energy: -135.758 flat angles P-C4'-P energy: -80.117 tors. eta vs tors. theta energy: -200.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2204.891201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.891201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.891201 (E_RNA) where: Base-Base interactions energy: -1567.854 where: short stacking energy: -609.143 Base-Backbone interact. energy: 0.643 local terms energy: -637.679797 where: bonds (distance) C4'-P energy: -106.995 bonds (distance) P-C4' energy: -115.685 flat angles C4'-P-C4' energy: -137.278 flat angles P-C4'-P energy: -87.878 tors. eta vs tors. theta energy: -189.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -2060.085228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.085228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.085228 (E_RNA) where: Base-Base interactions energy: -1453.268 where: short stacking energy: -596.807 Base-Backbone interact. energy: 2.238 local terms energy: -609.055278 where: bonds (distance) C4'-P energy: -107.375 bonds (distance) P-C4' energy: -107.927 flat angles C4'-P-C4' energy: -140.433 flat angles P-C4'-P energy: -83.227 tors. eta vs tors. theta energy: -170.093 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: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1818.687828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.687828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.687828 (E_RNA) where: Base-Base interactions energy: -1237.386 where: short stacking energy: -541.191 Base-Backbone interact. energy: -0.088 local terms energy: -581.213759 where: bonds (distance) C4'-P energy: -102.798 bonds (distance) P-C4' energy: -116.671 flat angles C4'-P-C4' energy: -132.387 flat angles P-C4'-P energy: -78.182 tors. eta vs tors. theta energy: -151.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -905.240473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.240473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.240473 (E_RNA) where: Base-Base interactions energy: -515.011 where: short stacking energy: -255.898 Base-Backbone interact. energy: 2.016 local terms energy: -392.245647 where: bonds (distance) C4'-P energy: -85.231 bonds (distance) P-C4' energy: -115.952 flat angles C4'-P-C4' energy: -108.835 flat angles P-C4'-P energy: -72.350 tors. eta vs tors. theta energy: -9.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2671.082117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.082117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.082117 (E_RNA) where: Base-Base interactions energy: -1918.622 where: short stacking energy: -793.771 Base-Backbone interact. energy: -2.391 local terms energy: -750.069896 where: bonds (distance) C4'-P energy: -124.426 bonds (distance) P-C4' energy: -138.433 flat angles C4'-P-C4' energy: -146.124 flat angles P-C4'-P energy: -109.474 tors. eta vs tors. theta energy: -231.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2671.363245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.363245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.363245 (E_RNA) where: Base-Base interactions energy: -1914.446 where: short stacking energy: -754.448 Base-Backbone interact. energy: -2.309 local terms energy: -754.608291 where: bonds (distance) C4'-P energy: -126.668 bonds (distance) P-C4' energy: -129.978 flat angles C4'-P-C4' energy: -162.621 flat angles P-C4'-P energy: -107.923 tors. eta vs tors. theta energy: -227.420 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: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2508.975579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.975579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.975579 (E_RNA) where: Base-Base interactions energy: -1765.469 where: short stacking energy: -724.683 Base-Backbone interact. energy: 0.842 local terms energy: -744.348965 where: bonds (distance) C4'-P energy: -124.857 bonds (distance) P-C4' energy: -134.154 flat angles C4'-P-C4' energy: -154.506 flat angles P-C4'-P energy: -103.968 tors. eta vs tors. theta energy: -226.863 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: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2445.680983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.680983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.680983 (E_RNA) where: Base-Base interactions energy: -1723.421 where: short stacking energy: -713.374 Base-Backbone interact. energy: -0.634 local terms energy: -721.625552 where: bonds (distance) C4'-P energy: -120.110 bonds (distance) P-C4' energy: -131.875 flat angles C4'-P-C4' energy: -147.475 flat angles P-C4'-P energy: -98.612 tors. eta vs tors. theta energy: -223.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2387.386756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.386756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.386756 (E_RNA) where: Base-Base interactions energy: -1687.573 where: short stacking energy: -693.705 Base-Backbone interact. energy: -2.203 local terms energy: -697.610069 where: bonds (distance) C4'-P energy: -119.752 bonds (distance) P-C4' energy: -129.640 flat angles C4'-P-C4' energy: -143.762 flat angles P-C4'-P energy: -100.255 tors. eta vs tors. theta energy: -204.200 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: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2310.711095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.711095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.711095 (E_RNA) where: Base-Base interactions energy: -1648.810 where: short stacking energy: -683.090 Base-Backbone interact. energy: -0.044 local terms energy: -661.857558 where: bonds (distance) C4'-P energy: -110.766 bonds (distance) P-C4' energy: -117.391 flat angles C4'-P-C4' energy: -137.139 flat angles P-C4'-P energy: -88.849 tors. eta vs tors. theta energy: -207.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2206.562884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.562884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.562884 (E_RNA) where: Base-Base interactions energy: -1572.738 where: short stacking energy: -627.685 Base-Backbone interact. energy: 2.267 local terms energy: -636.092237 where: bonds (distance) C4'-P energy: -111.648 bonds (distance) P-C4' energy: -128.032 flat angles C4'-P-C4' energy: -115.994 flat angles P-C4'-P energy: -96.072 tors. eta vs tors. theta energy: -184.346 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: 8, replica: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -2108.369423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.369423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.369423 (E_RNA) where: Base-Base interactions energy: -1455.085 where: short stacking energy: -579.595 Base-Backbone interact. energy: -2.537 local terms energy: -650.747141 where: bonds (distance) C4'-P energy: -123.437 bonds (distance) P-C4' energy: -114.263 flat angles C4'-P-C4' energy: -140.245 flat angles P-C4'-P energy: -88.268 tors. eta vs tors. theta energy: -184.534 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: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1798.490200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.490200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.490200 (E_RNA) where: Base-Base interactions energy: -1249.457 where: short stacking energy: -544.449 Base-Backbone interact. energy: -2.070 local terms energy: -546.963747 where: bonds (distance) C4'-P energy: -117.585 bonds (distance) P-C4' energy: -102.950 flat angles C4'-P-C4' energy: -96.045 flat angles P-C4'-P energy: -75.848 tors. eta vs tors. theta energy: -154.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -943.294140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.294140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.294140 (E_RNA) where: Base-Base interactions energy: -543.122 where: short stacking energy: -277.141 Base-Backbone interact. energy: 6.330 local terms energy: -406.502516 where: bonds (distance) C4'-P energy: -102.565 bonds (distance) P-C4' energy: -103.616 flat angles C4'-P-C4' energy: -97.688 flat angles P-C4'-P energy: -68.193 tors. eta vs tors. theta energy: -34.441 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: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2663.830303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.830303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.830303 (E_RNA) where: Base-Base interactions energy: -1919.377 where: short stacking energy: -793.794 Base-Backbone interact. energy: -3.142 local terms energy: -741.312079 where: bonds (distance) C4'-P energy: -118.480 bonds (distance) P-C4' energy: -132.452 flat angles C4'-P-C4' energy: -157.525 flat angles P-C4'-P energy: -110.130 tors. eta vs tors. theta energy: -222.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2655.589871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.589871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.589871 (E_RNA) where: Base-Base interactions energy: -1899.739 where: short stacking energy: -765.955 Base-Backbone interact. energy: -3.092 local terms energy: -752.758158 where: bonds (distance) C4'-P energy: -122.997 bonds (distance) P-C4' energy: -121.113 flat angles C4'-P-C4' energy: -171.677 flat angles P-C4'-P energy: -103.986 tors. eta vs tors. theta energy: -232.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2529.861052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.861052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.861052 (E_RNA) where: Base-Base interactions energy: -1786.245 where: short stacking energy: -730.665 Base-Backbone interact. energy: -1.765 local terms energy: -741.851158 where: bonds (distance) C4'-P energy: -114.887 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -160.715 flat angles P-C4'-P energy: -104.354 tors. eta vs tors. theta energy: -233.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2474.886875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.886875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.886875 (E_RNA) where: Base-Base interactions energy: -1778.859 where: short stacking energy: -730.988 Base-Backbone interact. energy: -2.586 local terms energy: -693.441262 where: bonds (distance) C4'-P energy: -103.800 bonds (distance) P-C4' energy: -121.822 flat angles C4'-P-C4' energy: -148.279 flat angles P-C4'-P energy: -94.950 tors. eta vs tors. theta energy: -224.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2395.856617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.856617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.856617 (E_RNA) where: Base-Base interactions energy: -1688.226 where: short stacking energy: -693.784 Base-Backbone interact. energy: -0.314 local terms energy: -707.316476 where: bonds (distance) C4'-P energy: -117.437 bonds (distance) P-C4' energy: -129.436 flat angles C4'-P-C4' energy: -145.649 flat angles P-C4'-P energy: -97.056 tors. eta vs tors. theta energy: -217.738 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: 10 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2279.393721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.393721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.393721 (E_RNA) where: Base-Base interactions energy: -1632.863 where: short stacking energy: -662.443 Base-Backbone interact. energy: -2.972 local terms energy: -643.559405 where: bonds (distance) C4'-P energy: -103.844 bonds (distance) P-C4' energy: -106.564 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -89.548 tors. eta vs tors. theta energy: -200.931 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: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2201.338519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.338519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.338519 (E_RNA) where: Base-Base interactions energy: -1612.943 where: short stacking energy: -637.950 Base-Backbone interact. energy: 0.052 local terms energy: -588.447443 where: bonds (distance) C4'-P energy: -86.975 bonds (distance) P-C4' energy: -95.828 flat angles C4'-P-C4' energy: -132.101 flat angles P-C4'-P energy: -89.017 tors. eta vs tors. theta energy: -184.526 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: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -2065.224485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.224485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.224485 (E_RNA) where: Base-Base interactions energy: -1439.105 where: short stacking energy: -594.553 Base-Backbone interact. energy: 0.112 local terms energy: -626.231651 where: bonds (distance) C4'-P energy: -125.207 bonds (distance) P-C4' energy: -124.797 flat angles C4'-P-C4' energy: -130.443 flat angles P-C4'-P energy: -71.021 tors. eta vs tors. theta energy: -174.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1754.699820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.699820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.699820 (E_RNA) where: Base-Base interactions energy: -1218.298 where: short stacking energy: -520.307 Base-Backbone interact. energy: -0.878 local terms energy: -535.523321 where: bonds (distance) C4'-P energy: -97.625 bonds (distance) P-C4' energy: -98.239 flat angles C4'-P-C4' energy: -121.947 flat angles P-C4'-P energy: -80.965 tors. eta vs tors. theta energy: -136.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -913.669794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.669794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.669794 (E_RNA) where: Base-Base interactions energy: -547.260 where: short stacking energy: -283.315 Base-Backbone interact. energy: 1.247 local terms energy: -367.656737 where: bonds (distance) C4'-P energy: -80.059 bonds (distance) P-C4' energy: -109.780 flat angles C4'-P-C4' energy: -97.372 flat angles P-C4'-P energy: -61.901 tors. eta vs tors. theta energy: -18.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2684.935662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.935662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.935662 (E_RNA) where: Base-Base interactions energy: -1894.202 where: short stacking energy: -767.806 Base-Backbone interact. energy: -3.653 local terms energy: -787.080444 where: bonds (distance) C4'-P energy: -125.252 bonds (distance) P-C4' energy: -144.335 flat angles C4'-P-C4' energy: -159.109 flat angles P-C4'-P energy: -119.956 tors. eta vs tors. theta energy: -238.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2673.610110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.610110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.610110 (E_RNA) where: Base-Base interactions energy: -1908.273 where: short stacking energy: -761.753 Base-Backbone interact. energy: -2.306 local terms energy: -763.031056 where: bonds (distance) C4'-P energy: -137.653 bonds (distance) P-C4' energy: -131.531 flat angles C4'-P-C4' energy: -151.880 flat angles P-C4'-P energy: -109.479 tors. eta vs tors. theta energy: -232.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2550.407133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.407133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.407133 (E_RNA) where: Base-Base interactions energy: -1795.860 where: short stacking energy: -746.402 Base-Backbone interact. energy: -1.808 local terms energy: -752.738956 where: bonds (distance) C4'-P energy: -132.329 bonds (distance) P-C4' energy: -132.819 flat angles C4'-P-C4' energy: -150.321 flat angles P-C4'-P energy: -106.939 tors. eta vs tors. theta energy: -230.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2481.791121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.791121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.791121 (E_RNA) where: Base-Base interactions energy: -1741.480 where: short stacking energy: -724.383 Base-Backbone interact. energy: 0.509 local terms energy: -740.819877 where: bonds (distance) C4'-P energy: -134.902 bonds (distance) P-C4' energy: -135.898 flat angles C4'-P-C4' energy: -143.659 flat angles P-C4'-P energy: -89.614 tors. eta vs tors. theta energy: -236.747 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: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2399.296053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.296053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.296053 (E_RNA) where: Base-Base interactions energy: -1727.143 where: short stacking energy: -706.942 Base-Backbone interact. energy: 1.101 local terms energy: -673.253428 where: bonds (distance) C4'-P energy: -102.909 bonds (distance) P-C4' energy: -119.417 flat angles C4'-P-C4' energy: -146.277 flat angles P-C4'-P energy: -95.019 tors. eta vs tors. theta energy: -209.632 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: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2282.029707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.029707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.029707 (E_RNA) where: Base-Base interactions energy: -1594.558 where: short stacking energy: -636.778 Base-Backbone interact. energy: -0.343 local terms energy: -687.128279 where: bonds (distance) C4'-P energy: -114.142 bonds (distance) P-C4' energy: -125.368 flat angles C4'-P-C4' energy: -149.160 flat angles P-C4'-P energy: -100.594 tors. eta vs tors. theta energy: -197.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2161.755593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.755593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.755593 (E_RNA) where: Base-Base interactions energy: -1532.056 where: short stacking energy: -618.525 Base-Backbone interact. energy: -3.315 local terms energy: -626.385380 where: bonds (distance) C4'-P energy: -101.014 bonds (distance) P-C4' energy: -110.673 flat angles C4'-P-C4' energy: -135.210 flat angles P-C4'-P energy: -98.741 tors. eta vs tors. theta energy: -180.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -2035.068415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.068415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.068415 (E_RNA) where: Base-Base interactions energy: -1417.678 where: short stacking energy: -573.748 Base-Backbone interact. energy: -1.901 local terms energy: -615.489521 where: bonds (distance) C4'-P energy: -106.964 bonds (distance) P-C4' energy: -119.849 flat angles C4'-P-C4' energy: -129.371 flat angles P-C4'-P energy: -90.805 tors. eta vs tors. theta energy: -168.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1766.927528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.927528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.927528 (E_RNA) where: Base-Base interactions energy: -1244.665 where: short stacking energy: -519.847 Base-Backbone interact. energy: -1.092 local terms energy: -521.170292 where: bonds (distance) C4'-P energy: -71.023 bonds (distance) P-C4' energy: -106.696 flat angles C4'-P-C4' energy: -122.908 flat angles P-C4'-P energy: -89.621 tors. eta vs tors. theta energy: -130.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -926.362309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.362309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.362309 (E_RNA) where: Base-Base interactions energy: -533.581 where: short stacking energy: -274.402 Base-Backbone interact. energy: 1.232 local terms energy: -394.012776 where: bonds (distance) C4'-P energy: -102.961 bonds (distance) P-C4' energy: -114.785 flat angles C4'-P-C4' energy: -81.045 flat angles P-C4'-P energy: -60.277 tors. eta vs tors. theta energy: -34.945 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: 471 Temperature: 0.900000 Total energy: -2677.231888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.231888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.231888 (E_RNA) where: Base-Base interactions energy: -1900.342 where: short stacking energy: -773.291 Base-Backbone interact. energy: -4.417 local terms energy: -772.473120 where: bonds (distance) C4'-P energy: -126.768 bonds (distance) P-C4' energy: -136.615 flat angles C4'-P-C4' energy: -157.133 flat angles P-C4'-P energy: -117.733 tors. eta vs tors. theta energy: -234.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2674.657884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.657884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.657884 (E_RNA) where: Base-Base interactions energy: -1902.110 where: short stacking energy: -761.957 Base-Backbone interact. energy: -3.369 local terms energy: -769.178147 where: bonds (distance) C4'-P energy: -133.520 bonds (distance) P-C4' energy: -132.301 flat angles C4'-P-C4' energy: -157.505 flat angles P-C4'-P energy: -115.194 tors. eta vs tors. theta energy: -230.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2542.951740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.951740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.951740 (E_RNA) where: Base-Base interactions energy: -1810.928 where: short stacking energy: -735.718 Base-Backbone interact. energy: -0.149 local terms energy: -731.875003 where: bonds (distance) C4'-P energy: -140.065 bonds (distance) P-C4' energy: -106.834 flat angles C4'-P-C4' energy: -155.430 flat angles P-C4'-P energy: -99.293 tors. eta vs tors. theta energy: -230.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2506.637878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.637878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.637878 (E_RNA) where: Base-Base interactions energy: -1780.265 where: short stacking energy: -721.809 Base-Backbone interact. energy: 1.780 local terms energy: -728.152839 where: bonds (distance) C4'-P energy: -143.782 bonds (distance) P-C4' energy: -116.051 flat angles C4'-P-C4' energy: -138.002 flat angles P-C4'-P energy: -99.432 tors. eta vs tors. theta energy: -230.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2391.459544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.459544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.459544 (E_RNA) where: Base-Base interactions energy: -1691.312 where: short stacking energy: -695.557 Base-Backbone interact. energy: -1.754 local terms energy: -698.393741 where: bonds (distance) C4'-P energy: -122.215 bonds (distance) P-C4' energy: -109.227 flat angles C4'-P-C4' energy: -156.340 flat angles P-C4'-P energy: -89.997 tors. eta vs tors. theta energy: -220.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2291.271703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.271703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.271703 (E_RNA) where: Base-Base interactions energy: -1623.883 where: short stacking energy: -646.707 Base-Backbone interact. energy: -0.258 local terms energy: -667.131443 where: bonds (distance) C4'-P energy: -107.519 bonds (distance) P-C4' energy: -121.675 flat angles C4'-P-C4' energy: -140.929 flat angles P-C4'-P energy: -94.085 tors. eta vs tors. theta energy: -202.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2208.199265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.199265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.199265 (E_RNA) where: Base-Base interactions energy: -1570.906 where: short stacking energy: -641.122 Base-Backbone interact. energy: 0.577 local terms energy: -637.869945 where: bonds (distance) C4'-P energy: -93.494 bonds (distance) P-C4' energy: -108.875 flat angles C4'-P-C4' energy: -146.365 flat angles P-C4'-P energy: -98.250 tors. eta vs tors. theta energy: -190.885 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: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -2055.800359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.800359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.800359 (E_RNA) where: Base-Base interactions energy: -1460.921 where: short stacking energy: -569.533 Base-Backbone interact. energy: 3.203 local terms energy: -598.082236 where: bonds (distance) C4'-P energy: -119.088 bonds (distance) P-C4' energy: -112.725 flat angles C4'-P-C4' energy: -127.216 flat angles P-C4'-P energy: -81.272 tors. eta vs tors. theta energy: -157.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1788.374341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.374341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.374341 (E_RNA) where: Base-Base interactions energy: -1233.097 where: short stacking energy: -508.633 Base-Backbone interact. energy: -0.402 local terms energy: -554.875797 where: bonds (distance) C4'-P energy: -100.108 bonds (distance) P-C4' energy: -109.922 flat angles C4'-P-C4' energy: -120.787 flat angles P-C4'-P energy: -91.793 tors. eta vs tors. theta energy: -132.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -897.775227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.775227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.775227 (E_RNA) where: Base-Base interactions energy: -522.694 where: short stacking energy: -251.460 Base-Backbone interact. energy: 1.648 local terms energy: -376.728807 where: bonds (distance) C4'-P energy: -112.003 bonds (distance) P-C4' energy: -109.831 flat angles C4'-P-C4' energy: -102.064 flat angles P-C4'-P energy: -53.438 tors. eta vs tors. theta energy: 0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2712.347768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.347768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.347768 (E_RNA) where: Base-Base interactions energy: -1928.824 where: short stacking energy: -787.032 Base-Backbone interact. energy: -3.036 local terms energy: -780.487899 where: bonds (distance) C4'-P energy: -126.659 bonds (distance) P-C4' energy: -145.369 flat angles C4'-P-C4' energy: -161.481 flat angles P-C4'-P energy: -110.037 tors. eta vs tors. theta energy: -236.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2675.010221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.010221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.010221 (E_RNA) where: Base-Base interactions energy: -1894.467 where: short stacking energy: -764.295 Base-Backbone interact. energy: -1.368 local terms energy: -779.174722 where: bonds (distance) C4'-P energy: -124.410 bonds (distance) P-C4' energy: -144.651 flat angles C4'-P-C4' energy: -162.500 flat angles P-C4'-P energy: -113.001 tors. eta vs tors. theta energy: -234.613 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: 3, replica: 7 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2538.523526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.523526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.523526 (E_RNA) where: Base-Base interactions energy: -1799.609 where: short stacking energy: -739.268 Base-Backbone interact. energy: -2.877 local terms energy: -736.037782 where: bonds (distance) C4'-P energy: -120.337 bonds (distance) P-C4' energy: -131.823 flat angles C4'-P-C4' energy: -154.878 flat angles P-C4'-P energy: -104.596 tors. eta vs tors. theta energy: -224.404 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: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2519.409354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.409354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.409354 (E_RNA) where: Base-Base interactions energy: -1789.685 where: short stacking energy: -743.489 Base-Backbone interact. energy: -1.196 local terms energy: -728.527740 where: bonds (distance) C4'-P energy: -108.972 bonds (distance) P-C4' energy: -122.235 flat angles C4'-P-C4' energy: -159.455 flat angles P-C4'-P energy: -104.178 tors. eta vs tors. theta energy: -233.688 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: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2384.885656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.885656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.885656 (E_RNA) where: Base-Base interactions energy: -1707.654 where: short stacking energy: -715.632 Base-Backbone interact. energy: -1.090 local terms energy: -676.141800 where: bonds (distance) C4'-P energy: -104.627 bonds (distance) P-C4' energy: -126.887 flat angles C4'-P-C4' energy: -134.746 flat angles P-C4'-P energy: -98.031 tors. eta vs tors. theta energy: -211.851 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: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2296.099168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.099168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.099168 (E_RNA) where: Base-Base interactions energy: -1616.522 where: short stacking energy: -667.562 Base-Backbone interact. energy: 1.185 local terms energy: -680.762695 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -128.397 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -89.338 tors. eta vs tors. theta energy: -208.097 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2197.524057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.524057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.524057 (E_RNA) where: Base-Base interactions energy: -1564.451 where: short stacking energy: -600.481 Base-Backbone interact. energy: 1.018 local terms energy: -634.091807 where: bonds (distance) C4'-P energy: -123.751 bonds (distance) P-C4' energy: -105.434 flat angles C4'-P-C4' energy: -148.698 flat angles P-C4'-P energy: -76.191 tors. eta vs tors. theta energy: -180.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -2011.507486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.507486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.507486 (E_RNA) where: Base-Base interactions energy: -1389.624 where: short stacking energy: -560.396 Base-Backbone interact. energy: -1.451 local terms energy: -620.431912 where: bonds (distance) C4'-P energy: -128.838 bonds (distance) P-C4' energy: -116.558 flat angles C4'-P-C4' energy: -129.297 flat angles P-C4'-P energy: -81.880 tors. eta vs tors. theta energy: -163.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1756.470559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.470559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.470559 (E_RNA) where: Base-Base interactions energy: -1236.048 where: short stacking energy: -530.245 Base-Backbone interact. energy: 0.746 local terms energy: -521.168950 where: bonds (distance) C4'-P energy: -97.468 bonds (distance) P-C4' energy: -104.401 flat angles C4'-P-C4' energy: -92.638 flat angles P-C4'-P energy: -71.838 tors. eta vs tors. theta energy: -154.823 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: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -906.080000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.080000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.080000 (E_RNA) where: Base-Base interactions energy: -526.744 where: short stacking energy: -254.113 Base-Backbone interact. energy: 1.212 local terms energy: -380.548538 where: bonds (distance) C4'-P energy: -101.326 bonds (distance) P-C4' energy: -108.129 flat angles C4'-P-C4' energy: -104.160 flat angles P-C4'-P energy: -55.808 tors. eta vs tors. theta energy: -11.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2691.311073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.311073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.311073 (E_RNA) where: Base-Base interactions energy: -1914.088 where: short stacking energy: -777.895 Base-Backbone interact. energy: 4.343 local terms energy: -781.566142 where: bonds (distance) C4'-P energy: -129.447 bonds (distance) P-C4' energy: -136.311 flat angles C4'-P-C4' energy: -166.442 flat angles P-C4'-P energy: -106.581 tors. eta vs tors. theta energy: -242.785 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: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2670.222055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.222055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.222055 (E_RNA) where: Base-Base interactions energy: -1916.228 where: short stacking energy: -759.654 Base-Backbone interact. energy: 0.172 local terms energy: -754.166583 where: bonds (distance) C4'-P energy: -123.435 bonds (distance) P-C4' energy: -136.480 flat angles C4'-P-C4' energy: -155.051 flat angles P-C4'-P energy: -115.104 tors. eta vs tors. theta energy: -224.097 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: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2549.262336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.262336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.262336 (E_RNA) where: Base-Base interactions energy: -1796.798 where: short stacking energy: -728.419 Base-Backbone interact. energy: -1.728 local terms energy: -750.735870 where: bonds (distance) C4'-P energy: -122.991 bonds (distance) P-C4' energy: -134.529 flat angles C4'-P-C4' energy: -162.721 flat angles P-C4'-P energy: -98.246 tors. eta vs tors. theta energy: -232.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2476.547338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.547338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.547338 (E_RNA) where: Base-Base interactions energy: -1752.775 where: short stacking energy: -708.317 Base-Backbone interact. energy: -1.703 local terms energy: -722.069956 where: bonds (distance) C4'-P energy: -122.886 bonds (distance) P-C4' energy: -122.512 flat angles C4'-P-C4' energy: -154.409 flat angles P-C4'-P energy: -99.346 tors. eta vs tors. theta energy: -222.917 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: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2383.977258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.977258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.977258 (E_RNA) where: Base-Base interactions energy: -1671.849 where: short stacking energy: -695.932 Base-Backbone interact. energy: -1.493 local terms energy: -710.635926 where: bonds (distance) C4'-P energy: -121.756 bonds (distance) P-C4' energy: -129.487 flat angles C4'-P-C4' energy: -143.346 flat angles P-C4'-P energy: -97.268 tors. eta vs tors. theta energy: -218.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2295.747866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.747866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.747866 (E_RNA) where: Base-Base interactions energy: -1633.421 where: short stacking energy: -649.085 Base-Backbone interact. energy: 1.021 local terms energy: -663.347884 where: bonds (distance) C4'-P energy: -104.041 bonds (distance) P-C4' energy: -128.132 flat angles C4'-P-C4' energy: -136.825 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -200.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2172.945827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.945827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.945827 (E_RNA) where: Base-Base interactions energy: -1539.344 where: short stacking energy: -606.420 Base-Backbone interact. energy: 1.235 local terms energy: -634.837416 where: bonds (distance) C4'-P energy: -114.740 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -121.238 flat angles P-C4'-P energy: -84.378 tors. eta vs tors. theta energy: -183.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1978.211137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.211137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.211137 (E_RNA) where: Base-Base interactions energy: -1379.631 where: short stacking energy: -557.797 Base-Backbone interact. energy: 1.331 local terms energy: -599.911188 where: bonds (distance) C4'-P energy: -119.341 bonds (distance) P-C4' energy: -102.581 flat angles C4'-P-C4' energy: -125.096 flat angles P-C4'-P energy: -85.824 tors. eta vs tors. theta energy: -167.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1769.359692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.359692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.359692 (E_RNA) where: Base-Base interactions energy: -1214.846 where: short stacking energy: -503.387 Base-Backbone interact. energy: -3.858 local terms energy: -550.655766 where: bonds (distance) C4'-P energy: -94.986 bonds (distance) P-C4' energy: -108.521 flat angles C4'-P-C4' energy: -140.975 flat angles P-C4'-P energy: -75.159 tors. eta vs tors. theta energy: -131.015 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: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -919.681904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.681904 (E_RNA) where: Base-Base interactions energy: -535.229 where: short stacking energy: -261.289 Base-Backbone interact. energy: 6.623 local terms energy: -391.076347 where: bonds (distance) C4'-P energy: -108.808 bonds (distance) P-C4' energy: -107.796 flat angles C4'-P-C4' energy: -96.789 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -22.172 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: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2725.033788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.033788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.033788 (E_RNA) where: Base-Base interactions energy: -1931.861 where: short stacking energy: -779.300 Base-Backbone interact. energy: 2.945 local terms energy: -796.118569 where: bonds (distance) C4'-P energy: -145.389 bonds (distance) P-C4' energy: -128.706 flat angles C4'-P-C4' energy: -161.506 flat angles P-C4'-P energy: -118.132 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: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2677.859913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.859913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.859913 (E_RNA) where: Base-Base interactions energy: -1927.999 where: short stacking energy: -777.044 Base-Backbone interact. energy: -3.118 local terms energy: -746.743237 where: bonds (distance) C4'-P energy: -134.575 bonds (distance) P-C4' energy: -142.128 flat angles C4'-P-C4' energy: -142.560 flat angles P-C4'-P energy: -107.957 tors. eta vs tors. theta energy: -219.523 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: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2510.177134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.177134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.177134 (E_RNA) where: Base-Base interactions energy: -1765.942 where: short stacking energy: -720.774 Base-Backbone interact. energy: -1.461 local terms energy: -742.774548 where: bonds (distance) C4'-P energy: -119.860 bonds (distance) P-C4' energy: -131.179 flat angles C4'-P-C4' energy: -154.495 flat angles P-C4'-P energy: -110.694 tors. eta vs tors. theta energy: -226.547 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: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2485.982893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.982893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.982893 (E_RNA) where: Base-Base interactions energy: -1781.574 where: short stacking energy: -733.982 Base-Backbone interact. energy: -0.527 local terms energy: -703.882235 where: bonds (distance) C4'-P energy: -116.273 bonds (distance) P-C4' energy: -114.177 flat angles C4'-P-C4' energy: -149.501 flat angles P-C4'-P energy: -97.516 tors. eta vs tors. theta energy: -226.415 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: 5, replica: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2393.662102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.662102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.662102 (E_RNA) where: Base-Base interactions energy: -1720.425 where: short stacking energy: -694.406 Base-Backbone interact. energy: -2.799 local terms energy: -670.438047 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -115.652 flat angles C4'-P-C4' energy: -143.316 flat angles P-C4'-P energy: -95.271 tors. eta vs tors. theta energy: -219.667 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: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2317.926309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.926309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.926309 (E_RNA) where: Base-Base interactions energy: -1643.333 where: short stacking energy: -691.508 Base-Backbone interact. energy: -0.493 local terms energy: -674.099815 where: bonds (distance) C4'-P energy: -127.224 bonds (distance) P-C4' energy: -115.147 flat angles C4'-P-C4' energy: -128.935 flat angles P-C4'-P energy: -92.440 tors. eta vs tors. theta energy: -210.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2146.003308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.003308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.003308 (E_RNA) where: Base-Base interactions energy: -1538.355 where: short stacking energy: -606.168 Base-Backbone interact. energy: -2.759 local terms energy: -604.889007 where: bonds (distance) C4'-P energy: -114.690 bonds (distance) P-C4' energy: -99.382 flat angles C4'-P-C4' energy: -135.267 flat angles P-C4'-P energy: -88.966 tors. eta vs tors. theta energy: -166.584 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: 474 Temperature: 1.250000 Total energy: -1966.183329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.183329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.183329 (E_RNA) where: Base-Base interactions energy: -1382.316 where: short stacking energy: -562.715 Base-Backbone interact. energy: 0.040 local terms energy: -583.907062 where: bonds (distance) C4'-P energy: -109.628 bonds (distance) P-C4' energy: -123.671 flat angles C4'-P-C4' energy: -126.471 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -158.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1789.396317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.396317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.396317 (E_RNA) where: Base-Base interactions energy: -1224.797 where: short stacking energy: -532.277 Base-Backbone interact. energy: -2.266 local terms energy: -562.332722 where: bonds (distance) C4'-P energy: -98.365 bonds (distance) P-C4' energy: -111.600 flat angles C4'-P-C4' energy: -117.472 flat angles P-C4'-P energy: -77.413 tors. eta vs tors. theta energy: -157.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -939.828767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.828767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.828767 (E_RNA) where: Base-Base interactions energy: -552.797 where: short stacking energy: -270.967 Base-Backbone interact. energy: 4.682 local terms energy: -391.713804 where: bonds (distance) C4'-P energy: -100.877 bonds (distance) P-C4' energy: -102.687 flat angles C4'-P-C4' energy: -112.682 flat angles P-C4'-P energy: -50.495 tors. eta vs tors. theta energy: -24.972 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: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2692.329927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.329927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.329927 (E_RNA) where: Base-Base interactions energy: -1913.602 where: short stacking energy: -787.371 Base-Backbone interact. energy: -2.777 local terms energy: -775.951215 where: bonds (distance) C4'-P energy: -132.464 bonds (distance) P-C4' energy: -135.334 flat angles C4'-P-C4' energy: -153.825 flat angles P-C4'-P energy: -109.669 tors. eta vs tors. theta energy: -244.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2667.605335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.605335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.605335 (E_RNA) where: Base-Base interactions energy: -1905.205 where: short stacking energy: -759.689 Base-Backbone interact. energy: 0.951 local terms energy: -763.351446 where: bonds (distance) C4'-P energy: -127.946 bonds (distance) P-C4' energy: -130.621 flat angles C4'-P-C4' energy: -161.467 flat angles P-C4'-P energy: -110.486 tors. eta vs tors. theta energy: -232.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2548.970221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.970221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.970221 (E_RNA) where: Base-Base interactions energy: -1804.405 where: short stacking energy: -731.654 Base-Backbone interact. energy: -0.909 local terms energy: -743.656424 where: bonds (distance) C4'-P energy: -130.578 bonds (distance) P-C4' energy: -123.214 flat angles C4'-P-C4' energy: -147.208 flat angles P-C4'-P energy: -107.128 tors. eta vs tors. theta energy: -235.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2439.976483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.976483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.976483 (E_RNA) where: Base-Base interactions energy: -1726.298 where: short stacking energy: -718.061 Base-Backbone interact. energy: -5.571 local terms energy: -708.107514 where: bonds (distance) C4'-P energy: -115.525 bonds (distance) P-C4' energy: -117.937 flat angles C4'-P-C4' energy: -142.111 flat angles P-C4'-P energy: -104.687 tors. eta vs tors. theta energy: -227.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2436.584096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.584096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.584096 (E_RNA) where: Base-Base interactions energy: -1724.107 where: short stacking energy: -709.611 Base-Backbone interact. energy: 0.200 local terms energy: -712.677180 where: bonds (distance) C4'-P energy: -126.231 bonds (distance) P-C4' energy: -125.526 flat angles C4'-P-C4' energy: -136.007 flat angles P-C4'-P energy: -105.272 tors. eta vs tors. theta energy: -219.642 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: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2304.312236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.312236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.312236 (E_RNA) where: Base-Base interactions energy: -1632.541 where: short stacking energy: -689.605 Base-Backbone interact. energy: -1.209 local terms energy: -670.562745 where: bonds (distance) C4'-P energy: -116.081 bonds (distance) P-C4' energy: -116.793 flat angles C4'-P-C4' energy: -124.565 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -208.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2168.502540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.502540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.502540 (E_RNA) where: Base-Base interactions energy: -1535.956 where: short stacking energy: -649.726 Base-Backbone interact. energy: 0.358 local terms energy: -632.905043 where: bonds (distance) C4'-P energy: -124.964 bonds (distance) P-C4' energy: -111.089 flat angles C4'-P-C4' energy: -117.961 flat angles P-C4'-P energy: -84.923 tors. eta vs tors. theta energy: -193.968 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: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1977.063874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.063874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.063874 (E_RNA) where: Base-Base interactions energy: -1420.434 where: short stacking energy: -585.519 Base-Backbone interact. energy: -1.461 local terms energy: -555.168355 where: bonds (distance) C4'-P energy: -99.675 bonds (distance) P-C4' energy: -77.113 flat angles C4'-P-C4' energy: -126.271 flat angles P-C4'-P energy: -88.310 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: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1747.009342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.009342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.009342 (E_RNA) where: Base-Base interactions energy: -1204.742 where: short stacking energy: -480.992 Base-Backbone interact. energy: -0.048 local terms energy: -542.218931 where: bonds (distance) C4'-P energy: -112.102 bonds (distance) P-C4' energy: -118.004 flat angles C4'-P-C4' energy: -101.563 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -129.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -886.739867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.739867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.739867 (E_RNA) where: Base-Base interactions energy: -536.207 where: short stacking energy: -249.514 Base-Backbone interact. energy: 9.704 local terms energy: -360.236701 where: bonds (distance) C4'-P energy: -95.285 bonds (distance) P-C4' energy: -91.430 flat angles C4'-P-C4' energy: -83.761 flat angles P-C4'-P energy: -55.554 tors. eta vs tors. theta energy: -34.206 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: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2682.582810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.582810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.582810 (E_RNA) where: Base-Base interactions energy: -1914.841 where: short stacking energy: -771.484 Base-Backbone interact. energy: -2.639 local terms energy: -765.103562 where: bonds (distance) C4'-P energy: -122.999 bonds (distance) P-C4' energy: -134.685 flat angles C4'-P-C4' energy: -169.228 flat angles P-C4'-P energy: -109.813 tors. eta vs tors. theta energy: -228.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2652.050239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.050239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.050239 (E_RNA) where: Base-Base interactions energy: -1920.836 where: short stacking energy: -768.802 Base-Backbone interact. energy: 1.714 local terms energy: -732.928223 where: bonds (distance) C4'-P energy: -137.438 bonds (distance) P-C4' energy: -119.512 flat angles C4'-P-C4' energy: -153.532 flat angles P-C4'-P energy: -104.083 tors. eta vs tors. theta energy: -218.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2524.578712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.578712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.578712 (E_RNA) where: Base-Base interactions energy: -1769.081 where: short stacking energy: -729.599 Base-Backbone interact. energy: 0.544 local terms energy: -756.041604 where: bonds (distance) C4'-P energy: -135.955 bonds (distance) P-C4' energy: -129.329 flat angles C4'-P-C4' energy: -157.960 flat angles P-C4'-P energy: -100.415 tors. eta vs tors. theta energy: -232.382 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: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2465.001632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.001632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.001632 (E_RNA) where: Base-Base interactions energy: -1737.070 where: short stacking energy: -716.225 Base-Backbone interact. energy: -1.213 local terms energy: -726.718314 where: bonds (distance) C4'-P energy: -116.840 bonds (distance) P-C4' energy: -128.422 flat angles C4'-P-C4' energy: -144.323 flat angles P-C4'-P energy: -110.089 tors. eta vs tors. theta energy: -227.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2405.615105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.615105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.615105 (E_RNA) where: Base-Base interactions energy: -1721.852 where: short stacking energy: -693.894 Base-Backbone interact. energy: -1.681 local terms energy: -682.082421 where: bonds (distance) C4'-P energy: -102.683 bonds (distance) P-C4' energy: -114.850 flat angles C4'-P-C4' energy: -147.353 flat angles P-C4'-P energy: -99.477 tors. eta vs tors. theta energy: -217.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2329.446036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.446036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.446036 (E_RNA) where: Base-Base interactions energy: -1657.382 where: short stacking energy: -685.257 Base-Backbone interact. energy: -2.133 local terms energy: -669.930662 where: bonds (distance) C4'-P energy: -105.473 bonds (distance) P-C4' energy: -116.654 flat angles C4'-P-C4' energy: -135.877 flat angles P-C4'-P energy: -93.322 tors. eta vs tors. theta energy: -218.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2189.828990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.828990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.828990 (E_RNA) where: Base-Base interactions energy: -1544.132 where: short stacking energy: -601.324 Base-Backbone interact. energy: -2.559 local terms energy: -643.138343 where: bonds (distance) C4'-P energy: -120.385 bonds (distance) P-C4' energy: -112.500 flat angles C4'-P-C4' energy: -142.515 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -189.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -2031.030851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.030851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.030851 (E_RNA) where: Base-Base interactions energy: -1448.987 where: short stacking energy: -598.022 Base-Backbone interact. energy: -0.924 local terms energy: -581.120466 where: bonds (distance) C4'-P energy: -97.917 bonds (distance) P-C4' energy: -105.352 flat angles C4'-P-C4' energy: -123.882 flat angles P-C4'-P energy: -84.698 tors. eta vs tors. theta energy: -169.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1769.871178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.871178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.871178 (E_RNA) where: Base-Base interactions energy: -1246.982 where: short stacking energy: -523.414 Base-Backbone interact. energy: -1.262 local terms energy: -521.626487 where: bonds (distance) C4'-P energy: -89.331 bonds (distance) P-C4' energy: -96.651 flat angles C4'-P-C4' energy: -119.646 flat angles P-C4'-P energy: -69.054 tors. eta vs tors. theta energy: -146.944 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: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -871.688324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.688324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.688324 (E_RNA) where: Base-Base interactions energy: -486.668 where: short stacking energy: -220.942 Base-Backbone interact. energy: 0.957 local terms energy: -385.977004 where: bonds (distance) C4'-P energy: -108.510 bonds (distance) P-C4' energy: -101.010 flat angles C4'-P-C4' energy: -109.877 flat angles P-C4'-P energy: -50.310 tors. eta vs tors. theta energy: -16.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2684.686150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.686150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.686150 (E_RNA) where: Base-Base interactions energy: -1907.885 where: short stacking energy: -788.198 Base-Backbone interact. energy: 0.017 local terms energy: -776.818042 where: bonds (distance) C4'-P energy: -131.054 bonds (distance) P-C4' energy: -138.674 flat angles C4'-P-C4' energy: -159.614 flat angles P-C4'-P energy: -105.765 tors. eta vs tors. theta energy: -241.711 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: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2669.041426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.041426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.041426 (E_RNA) where: Base-Base interactions energy: -1909.591 where: short stacking energy: -767.583 Base-Backbone interact. energy: -2.600 local terms energy: -756.850159 where: bonds (distance) C4'-P energy: -128.072 bonds (distance) P-C4' energy: -140.373 flat angles C4'-P-C4' energy: -155.883 flat angles P-C4'-P energy: -101.535 tors. eta vs tors. theta energy: -230.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2497.107455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.107455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.107455 (E_RNA) where: Base-Base interactions energy: -1772.332 where: short stacking energy: -737.173 Base-Backbone interact. energy: -1.206 local terms energy: -723.569942 where: bonds (distance) C4'-P energy: -122.208 bonds (distance) P-C4' energy: -117.759 flat angles C4'-P-C4' energy: -153.806 flat angles P-C4'-P energy: -99.873 tors. eta vs tors. theta energy: -229.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2500.466043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.466043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.466043 (E_RNA) where: Base-Base interactions energy: -1762.758 where: short stacking energy: -730.298 Base-Backbone interact. energy: -2.572 local terms energy: -735.135892 where: bonds (distance) C4'-P energy: -124.878 bonds (distance) P-C4' energy: -128.028 flat angles C4'-P-C4' energy: -151.287 flat angles P-C4'-P energy: -108.032 tors. eta vs tors. theta energy: -222.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2401.372715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.372715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.372715 (E_RNA) where: Base-Base interactions energy: -1700.516 where: short stacking energy: -712.183 Base-Backbone interact. energy: -2.799 local terms energy: -698.058348 where: bonds (distance) C4'-P energy: -127.826 bonds (distance) P-C4' energy: -110.327 flat angles C4'-P-C4' energy: -138.861 flat angles P-C4'-P energy: -106.377 tors. eta vs tors. theta energy: -214.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2293.314269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.314269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.314269 (E_RNA) where: Base-Base interactions energy: -1614.321 where: short stacking energy: -659.643 Base-Backbone interact. energy: -0.173 local terms energy: -678.820582 where: bonds (distance) C4'-P energy: -119.240 bonds (distance) P-C4' energy: -121.569 flat angles C4'-P-C4' energy: -128.235 flat angles P-C4'-P energy: -97.933 tors. eta vs tors. theta energy: -211.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2197.164285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.164285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.164285 (E_RNA) where: Base-Base interactions energy: -1568.765 where: short stacking energy: -642.464 Base-Backbone interact. energy: -1.077 local terms energy: -627.322458 where: bonds (distance) C4'-P energy: -87.377 bonds (distance) P-C4' energy: -115.727 flat angles C4'-P-C4' energy: -132.746 flat angles P-C4'-P energy: -103.467 tors. eta vs tors. theta energy: -188.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -2004.750674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.750674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.750674 (E_RNA) where: Base-Base interactions energy: -1436.655 where: short stacking energy: -582.258 Base-Backbone interact. energy: -0.735 local terms energy: -567.360067 where: bonds (distance) C4'-P energy: -108.272 bonds (distance) P-C4' energy: -83.305 flat angles C4'-P-C4' energy: -121.785 flat angles P-C4'-P energy: -93.473 tors. eta vs tors. theta energy: -160.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1766.987817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.987817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.987817 (E_RNA) where: Base-Base interactions energy: -1213.401 where: short stacking energy: -511.046 Base-Backbone interact. energy: 2.028 local terms energy: -555.614740 where: bonds (distance) C4'-P energy: -95.331 bonds (distance) P-C4' energy: -105.317 flat angles C4'-P-C4' energy: -130.316 flat angles P-C4'-P energy: -72.206 tors. eta vs tors. theta energy: -152.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -909.191040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.191040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.191040 (E_RNA) where: Base-Base interactions energy: -539.266 where: short stacking energy: -273.893 Base-Backbone interact. energy: -1.397 local terms energy: -368.527854 where: bonds (distance) C4'-P energy: -88.330 bonds (distance) P-C4' energy: -111.641 flat angles C4'-P-C4' energy: -104.902 flat angles P-C4'-P energy: -47.636 tors. eta vs tors. theta energy: -16.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2682.875795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.875795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.875795 (E_RNA) where: Base-Base interactions energy: -1915.834 where: short stacking energy: -767.004 Base-Backbone interact. energy: -0.436 local terms energy: -766.606038 where: bonds (distance) C4'-P energy: -129.382 bonds (distance) P-C4' energy: -130.997 flat angles C4'-P-C4' energy: -157.221 flat angles P-C4'-P energy: -114.681 tors. eta vs tors. theta energy: -234.325 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: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2670.514354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.514354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.514354 (E_RNA) where: Base-Base interactions energy: -1921.219 where: short stacking energy: -749.098 Base-Backbone interact. energy: -3.476 local terms energy: -745.818656 where: bonds (distance) C4'-P energy: -134.121 bonds (distance) P-C4' energy: -133.213 flat angles C4'-P-C4' energy: -148.809 flat angles P-C4'-P energy: -105.837 tors. eta vs tors. theta energy: -223.839 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: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2530.917748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.917748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.917748 (E_RNA) where: Base-Base interactions energy: -1781.588 where: short stacking energy: -724.018 Base-Backbone interact. energy: -1.174 local terms energy: -748.155835 where: bonds (distance) C4'-P energy: -123.888 bonds (distance) P-C4' energy: -144.413 flat angles C4'-P-C4' energy: -145.077 flat angles P-C4'-P energy: -106.950 tors. eta vs tors. theta energy: -227.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2494.938584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.938584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.938584 (E_RNA) where: Base-Base interactions energy: -1767.353 where: short stacking energy: -725.623 Base-Backbone interact. energy: -1.577 local terms energy: -726.008794 where: bonds (distance) C4'-P energy: -116.164 bonds (distance) P-C4' energy: -100.955 flat angles C4'-P-C4' energy: -165.993 flat angles P-C4'-P energy: -108.095 tors. eta vs tors. theta energy: -234.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2414.023710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.023710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.023710 (E_RNA) where: Base-Base interactions energy: -1717.467 where: short stacking energy: -708.482 Base-Backbone interact. energy: -2.985 local terms energy: -693.570950 where: bonds (distance) C4'-P energy: -111.444 bonds (distance) P-C4' energy: -122.250 flat angles C4'-P-C4' energy: -148.915 flat angles P-C4'-P energy: -91.274 tors. eta vs tors. theta energy: -219.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2314.381247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.381247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.381247 (E_RNA) where: Base-Base interactions energy: -1652.669 where: short stacking energy: -669.812 Base-Backbone interact. energy: -1.196 local terms energy: -660.516274 where: bonds (distance) C4'-P energy: -112.091 bonds (distance) P-C4' energy: -121.726 flat angles C4'-P-C4' energy: -126.826 flat angles P-C4'-P energy: -87.510 tors. eta vs tors. theta energy: -212.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2186.252536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.252536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.252536 (E_RNA) where: Base-Base interactions energy: -1540.227 where: short stacking energy: -584.385 Base-Backbone interact. energy: 4.193 local terms energy: -650.218735 where: bonds (distance) C4'-P energy: -125.222 bonds (distance) P-C4' energy: -119.976 flat angles C4'-P-C4' energy: -136.306 flat angles P-C4'-P energy: -87.472 tors. eta vs tors. theta energy: -181.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -2074.974156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.974156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.974156 (E_RNA) where: Base-Base interactions energy: -1489.389 where: short stacking energy: -623.379 Base-Backbone interact. energy: -0.417 local terms energy: -585.168189 where: bonds (distance) C4'-P energy: -89.096 bonds (distance) P-C4' energy: -118.768 flat angles C4'-P-C4' energy: -129.846 flat angles P-C4'-P energy: -70.644 tors. eta vs tors. theta energy: -176.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1717.954432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.954432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.954432 (E_RNA) where: Base-Base interactions energy: -1172.623 where: short stacking energy: -477.753 Base-Backbone interact. energy: 2.046 local terms energy: -547.377701 where: bonds (distance) C4'-P energy: -99.336 bonds (distance) P-C4' energy: -132.303 flat angles C4'-P-C4' energy: -123.047 flat angles P-C4'-P energy: -59.183 tors. eta vs tors. theta energy: -133.509 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: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -897.933946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.933946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.933946 (E_RNA) where: Base-Base interactions energy: -493.878 where: short stacking energy: -247.861 Base-Backbone interact. energy: -3.964 local terms energy: -400.092394 where: bonds (distance) C4'-P energy: -93.729 bonds (distance) P-C4' energy: -113.852 flat angles C4'-P-C4' energy: -112.677 flat angles P-C4'-P energy: -54.437 tors. eta vs tors. theta energy: -25.397 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: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2686.468182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.468182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.468182 (E_RNA) where: Base-Base interactions energy: -1921.335 where: short stacking energy: -784.752 Base-Backbone interact. energy: -2.561 local terms energy: -762.572534 where: bonds (distance) C4'-P energy: -123.962 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -159.856 flat angles P-C4'-P energy: -114.361 tors. eta vs tors. theta energy: -225.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2646.872242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.872242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.872242 (E_RNA) where: Base-Base interactions energy: -1908.611 where: short stacking energy: -772.271 Base-Backbone interact. energy: 3.216 local terms energy: -741.476824 where: bonds (distance) C4'-P energy: -122.109 bonds (distance) P-C4' energy: -137.664 flat angles C4'-P-C4' energy: -158.155 flat angles P-C4'-P energy: -104.561 tors. eta vs tors. theta energy: -218.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2553.745078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.745078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.745078 (E_RNA) where: Base-Base interactions energy: -1810.331 where: short stacking energy: -741.589 Base-Backbone interact. energy: -1.861 local terms energy: -741.552342 where: bonds (distance) C4'-P energy: -117.617 bonds (distance) P-C4' energy: -125.010 flat angles C4'-P-C4' energy: -155.700 flat angles P-C4'-P energy: -111.150 tors. eta vs tors. theta energy: -232.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2492.132502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.132502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.132502 (E_RNA) where: Base-Base interactions energy: -1758.080 where: short stacking energy: -725.389 Base-Backbone interact. energy: -0.137 local terms energy: -733.915282 where: bonds (distance) C4'-P energy: -131.921 bonds (distance) P-C4' energy: -121.888 flat angles C4'-P-C4' energy: -146.874 flat angles P-C4'-P energy: -96.425 tors. eta vs tors. theta energy: -236.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2385.160600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.160600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.160600 (E_RNA) where: Base-Base interactions energy: -1695.264 where: short stacking energy: -693.408 Base-Backbone interact. energy: 3.963 local terms energy: -693.859668 where: bonds (distance) C4'-P energy: -127.397 bonds (distance) P-C4' energy: -120.420 flat angles C4'-P-C4' energy: -134.647 flat angles P-C4'-P energy: -97.834 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: 6, replica: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2302.075219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.075219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.075219 (E_RNA) where: Base-Base interactions energy: -1638.760 where: short stacking energy: -658.180 Base-Backbone interact. energy: -0.867 local terms energy: -662.448795 where: bonds (distance) C4'-P energy: -109.662 bonds (distance) P-C4' energy: -129.372 flat angles C4'-P-C4' energy: -130.575 flat angles P-C4'-P energy: -92.433 tors. eta vs tors. theta energy: -200.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2149.249760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.249760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.249760 (E_RNA) where: Base-Base interactions energy: -1535.665 where: short stacking energy: -627.697 Base-Backbone interact. energy: 0.923 local terms energy: -614.507110 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -113.528 flat angles C4'-P-C4' energy: -133.341 flat angles P-C4'-P energy: -88.308 tors. eta vs tors. theta energy: -172.861 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: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -2141.750246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.750246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.750246 (E_RNA) where: Base-Base interactions energy: -1534.462 where: short stacking energy: -625.241 Base-Backbone interact. energy: -2.537 local terms energy: -604.750871 where: bonds (distance) C4'-P energy: -83.252 bonds (distance) P-C4' energy: -115.673 flat angles C4'-P-C4' energy: -129.700 flat angles P-C4'-P energy: -85.104 tors. eta vs tors. theta energy: -191.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1762.007588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.007588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.007588 (E_RNA) where: Base-Base interactions energy: -1260.964 where: short stacking energy: -520.117 Base-Backbone interact. energy: 1.160 local terms energy: -502.203910 where: bonds (distance) C4'-P energy: -80.017 bonds (distance) P-C4' energy: -106.889 flat angles C4'-P-C4' energy: -112.481 flat angles P-C4'-P energy: -70.856 tors. eta vs tors. theta energy: -131.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -935.779818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.779818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.779818 (E_RNA) where: Base-Base interactions energy: -549.767 where: short stacking energy: -286.740 Base-Backbone interact. energy: -0.876 local terms energy: -385.136775 where: bonds (distance) C4'-P energy: -106.776 bonds (distance) P-C4' energy: -107.020 flat angles C4'-P-C4' energy: -77.085 flat angles P-C4'-P energy: -66.282 tors. eta vs tors. theta energy: -27.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2666.038111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.038111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.038111 (E_RNA) where: Base-Base interactions energy: -1886.463 where: short stacking energy: -749.338 Base-Backbone interact. energy: -4.027 local terms energy: -775.548385 where: bonds (distance) C4'-P energy: -143.129 bonds (distance) P-C4' energy: -131.532 flat angles C4'-P-C4' energy: -160.865 flat angles P-C4'-P energy: -117.422 tors. eta vs tors. theta energy: -222.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2667.910089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.910089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.910089 (E_RNA) where: Base-Base interactions energy: -1913.331 where: short stacking energy: -769.682 Base-Backbone interact. energy: -1.089 local terms energy: -753.490336 where: bonds (distance) C4'-P energy: -120.573 bonds (distance) P-C4' energy: -145.930 flat angles C4'-P-C4' energy: -155.148 flat angles P-C4'-P energy: -105.342 tors. eta vs tors. theta energy: -226.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2515.584416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.584416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.584416 (E_RNA) where: Base-Base interactions energy: -1786.181 where: short stacking energy: -728.323 Base-Backbone interact. energy: -2.614 local terms energy: -726.788695 where: bonds (distance) C4'-P energy: -119.534 bonds (distance) P-C4' energy: -123.322 flat angles C4'-P-C4' energy: -156.814 flat angles P-C4'-P energy: -98.442 tors. eta vs tors. theta energy: -228.677 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: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2495.126668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.126668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.126668 (E_RNA) where: Base-Base interactions energy: -1795.398 where: short stacking energy: -731.201 Base-Backbone interact. energy: 3.251 local terms energy: -702.979649 where: bonds (distance) C4'-P energy: -131.503 bonds (distance) P-C4' energy: -112.058 flat angles C4'-P-C4' energy: -143.842 flat angles P-C4'-P energy: -90.451 tors. eta vs tors. theta energy: -225.126 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: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2389.194870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.194870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.194870 (E_RNA) where: Base-Base interactions energy: -1673.182 where: short stacking energy: -688.949 Base-Backbone interact. energy: -1.770 local terms energy: -714.242865 where: bonds (distance) C4'-P energy: -137.311 bonds (distance) P-C4' energy: -112.921 flat angles C4'-P-C4' energy: -138.522 flat angles P-C4'-P energy: -98.257 tors. eta vs tors. theta energy: -227.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2284.922335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.922335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.922335 (E_RNA) where: Base-Base interactions energy: -1629.346 where: short stacking energy: -681.442 Base-Backbone interact. energy: -1.830 local terms energy: -653.746282 where: bonds (distance) C4'-P energy: -108.130 bonds (distance) P-C4' energy: -100.135 flat angles C4'-P-C4' energy: -140.912 flat angles P-C4'-P energy: -100.416 tors. eta vs tors. theta energy: -204.153 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: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2203.629740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.629740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.629740 (E_RNA) where: Base-Base interactions energy: -1563.940 where: short stacking energy: -633.145 Base-Backbone interact. energy: -0.727 local terms energy: -638.962228 where: bonds (distance) C4'-P energy: -107.742 bonds (distance) P-C4' energy: -119.192 flat angles C4'-P-C4' energy: -135.078 flat angles P-C4'-P energy: -94.873 tors. eta vs tors. theta energy: -182.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -2087.059707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.059707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.059707 (E_RNA) where: Base-Base interactions energy: -1493.293 where: short stacking energy: -606.700 Base-Backbone interact. energy: 3.580 local terms energy: -597.346700 where: bonds (distance) C4'-P energy: -97.819 bonds (distance) P-C4' energy: -110.482 flat angles C4'-P-C4' energy: -131.091 flat angles P-C4'-P energy: -78.581 tors. eta vs tors. theta energy: -179.375 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: 9, replica: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1681.448561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.448561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.448561 (E_RNA) where: Base-Base interactions energy: -1156.309 where: short stacking energy: -486.690 Base-Backbone interact. energy: -1.540 local terms energy: -523.599920 where: bonds (distance) C4'-P energy: -80.391 bonds (distance) P-C4' energy: -115.006 flat angles C4'-P-C4' energy: -126.086 flat angles P-C4'-P energy: -67.961 tors. eta vs tors. theta energy: -134.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1023.837526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.837526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.837526 (E_RNA) where: Base-Base interactions energy: -636.706 where: short stacking energy: -288.581 Base-Backbone interact. energy: 1.351 local terms energy: -388.482526 where: bonds (distance) C4'-P energy: -104.068 bonds (distance) P-C4' energy: -115.736 flat angles C4'-P-C4' energy: -89.392 flat angles P-C4'-P energy: -45.556 tors. eta vs tors. theta energy: -33.732 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: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2673.989495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.989495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.989495 (E_RNA) where: Base-Base interactions energy: -1915.472 where: short stacking energy: -767.834 Base-Backbone interact. energy: -3.972 local terms energy: -754.545316 where: bonds (distance) C4'-P energy: -127.199 bonds (distance) P-C4' energy: -137.491 flat angles C4'-P-C4' energy: -149.610 flat angles P-C4'-P energy: -106.735 tors. eta vs tors. theta energy: -233.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2653.516808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.516808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.516808 (E_RNA) where: Base-Base interactions energy: -1910.808 where: short stacking energy: -746.653 Base-Backbone interact. energy: -0.312 local terms energy: -742.396574 where: bonds (distance) C4'-P energy: -138.491 bonds (distance) P-C4' energy: -134.883 flat angles C4'-P-C4' energy: -151.212 flat angles P-C4'-P energy: -104.009 tors. eta vs tors. theta energy: -213.801 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: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2528.368226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.368226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.368226 (E_RNA) where: Base-Base interactions energy: -1793.734 where: short stacking energy: -753.969 Base-Backbone interact. energy: 0.216 local terms energy: -734.850159 where: bonds (distance) C4'-P energy: -117.181 bonds (distance) P-C4' energy: -136.359 flat angles C4'-P-C4' energy: -141.839 flat angles P-C4'-P energy: -107.091 tors. eta vs tors. theta energy: -232.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2470.227482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.227482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.227482 (E_RNA) where: Base-Base interactions energy: -1740.970 where: short stacking energy: -732.898 Base-Backbone interact. energy: -0.593 local terms energy: -728.664309 where: bonds (distance) C4'-P energy: -123.969 bonds (distance) P-C4' energy: -126.578 flat angles C4'-P-C4' energy: -148.613 flat angles P-C4'-P energy: -105.054 tors. eta vs tors. theta energy: -224.450 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: 2 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2378.209502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.209502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.209502 (E_RNA) where: Base-Base interactions energy: -1676.672 where: short stacking energy: -676.384 Base-Backbone interact. energy: -2.386 local terms energy: -699.151000 where: bonds (distance) C4'-P energy: -114.852 bonds (distance) P-C4' energy: -120.514 flat angles C4'-P-C4' energy: -154.338 flat angles P-C4'-P energy: -95.912 tors. eta vs tors. theta energy: -213.535 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: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2287.349185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.349185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.349185 (E_RNA) where: Base-Base interactions energy: -1612.519 where: short stacking energy: -672.451 Base-Backbone interact. energy: -1.398 local terms energy: -673.432646 where: bonds (distance) C4'-P energy: -97.201 bonds (distance) P-C4' energy: -122.183 flat angles C4'-P-C4' energy: -147.282 flat angles P-C4'-P energy: -102.909 tors. eta vs tors. theta energy: -203.858 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: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2171.857755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.857755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.857755 (E_RNA) where: Base-Base interactions energy: -1557.288 where: short stacking energy: -618.826 Base-Backbone interact. energy: 1.555 local terms energy: -616.125259 where: bonds (distance) C4'-P energy: -100.165 bonds (distance) P-C4' energy: -105.022 flat angles C4'-P-C4' energy: -148.089 flat angles P-C4'-P energy: -88.088 tors. eta vs tors. theta energy: -174.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -2148.651290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.651290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.651290 (E_RNA) where: Base-Base interactions energy: -1539.484 where: short stacking energy: -629.465 Base-Backbone interact. energy: 0.203 local terms energy: -609.370792 where: bonds (distance) C4'-P energy: -101.031 bonds (distance) P-C4' energy: -108.235 flat angles C4'-P-C4' energy: -128.173 flat angles P-C4'-P energy: -78.751 tors. eta vs tors. theta energy: -193.181 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: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1721.370302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.370302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.370302 (E_RNA) where: Base-Base interactions energy: -1192.688 where: short stacking energy: -482.830 Base-Backbone interact. energy: 0.917 local terms energy: -529.599839 where: bonds (distance) C4'-P energy: -87.522 bonds (distance) P-C4' energy: -112.716 flat angles C4'-P-C4' energy: -119.802 flat angles P-C4'-P energy: -73.096 tors. eta vs tors. theta energy: -136.463 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: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1042.331796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.331796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.331796 (E_RNA) where: Base-Base interactions energy: -596.555 where: short stacking energy: -271.150 Base-Backbone interact. energy: -0.690 local terms energy: -445.086675 where: bonds (distance) C4'-P energy: -104.282 bonds (distance) P-C4' energy: -125.863 flat angles C4'-P-C4' energy: -102.992 flat angles P-C4'-P energy: -66.895 tors. eta vs tors. theta energy: -45.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2711.810007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.810007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.810007 (E_RNA) where: Base-Base interactions energy: -1954.487 where: short stacking energy: -780.323 Base-Backbone interact. energy: -2.028 local terms energy: -755.295424 where: bonds (distance) C4'-P energy: -110.777 bonds (distance) P-C4' energy: -138.846 flat angles C4'-P-C4' energy: -156.917 flat angles P-C4'-P energy: -117.491 tors. eta vs tors. theta energy: -231.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2667.809531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.809531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.809531 (E_RNA) where: Base-Base interactions energy: -1901.756 where: short stacking energy: -746.952 Base-Backbone interact. energy: 2.169 local terms energy: -768.222582 where: bonds (distance) C4'-P energy: -132.776 bonds (distance) P-C4' energy: -134.525 flat angles C4'-P-C4' energy: -160.107 flat angles P-C4'-P energy: -118.855 tors. eta vs tors. theta energy: -221.960 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: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2511.385468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.385468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.385468 (E_RNA) where: Base-Base interactions energy: -1779.654 where: short stacking energy: -732.765 Base-Backbone interact. energy: -0.970 local terms energy: -730.761526 where: bonds (distance) C4'-P energy: -124.281 bonds (distance) P-C4' energy: -129.016 flat angles C4'-P-C4' energy: -151.002 flat angles P-C4'-P energy: -104.306 tors. eta vs tors. theta energy: -222.156 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: 4, replica: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2499.704229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.704229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.704229 (E_RNA) where: Base-Base interactions energy: -1770.674 where: short stacking energy: -736.775 Base-Backbone interact. energy: -2.012 local terms energy: -727.018839 where: bonds (distance) C4'-P energy: -118.149 bonds (distance) P-C4' energy: -119.840 flat angles C4'-P-C4' energy: -143.291 flat angles P-C4'-P energy: -113.570 tors. eta vs tors. theta energy: -232.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2408.595590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.595590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.595590 (E_RNA) where: Base-Base interactions energy: -1713.050 where: short stacking energy: -703.962 Base-Backbone interact. energy: -1.309 local terms energy: -694.236175 where: bonds (distance) C4'-P energy: -132.284 bonds (distance) P-C4' energy: -114.703 flat angles C4'-P-C4' energy: -142.259 flat angles P-C4'-P energy: -87.680 tors. eta vs tors. theta energy: -217.310 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: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2303.189219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.189219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.189219 (E_RNA) where: Base-Base interactions energy: -1633.168 where: short stacking energy: -672.715 Base-Backbone interact. energy: -1.418 local terms energy: -668.603835 where: bonds (distance) C4'-P energy: -124.310 bonds (distance) P-C4' energy: -108.536 flat angles C4'-P-C4' energy: -139.670 flat angles P-C4'-P energy: -91.295 tors. eta vs tors. theta energy: -204.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2178.643031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.643031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.643031 (E_RNA) where: Base-Base interactions energy: -1535.324 where: short stacking energy: -621.429 Base-Backbone interact. energy: 1.661 local terms energy: -644.979396 where: bonds (distance) C4'-P energy: -98.428 bonds (distance) P-C4' energy: -101.153 flat angles C4'-P-C4' energy: -153.238 flat angles P-C4'-P energy: -102.028 tors. eta vs tors. theta energy: -190.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -2070.609350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.609350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.609350 (E_RNA) where: Base-Base interactions energy: -1477.645 where: short stacking energy: -576.194 Base-Backbone interact. energy: -1.378 local terms energy: -591.585653 where: bonds (distance) C4'-P energy: -110.987 bonds (distance) P-C4' energy: -89.879 flat angles C4'-P-C4' energy: -128.548 flat angles P-C4'-P energy: -94.112 tors. eta vs tors. theta energy: -168.059 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: 9, replica: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1757.379006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.379006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.379006 (E_RNA) where: Base-Base interactions energy: -1201.396 where: short stacking energy: -485.141 Base-Backbone interact. energy: -0.695 local terms energy: -555.288126 where: bonds (distance) C4'-P energy: -106.059 bonds (distance) P-C4' energy: -118.935 flat angles C4'-P-C4' energy: -113.989 flat angles P-C4'-P energy: -80.499 tors. eta vs tors. theta energy: -135.806 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: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -968.217877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.217877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.217877 (E_RNA) where: Base-Base interactions energy: -556.805 where: short stacking energy: -246.929 Base-Backbone interact. energy: 3.047 local terms energy: -414.459840 where: bonds (distance) C4'-P energy: -129.983 bonds (distance) P-C4' energy: -106.906 flat angles C4'-P-C4' energy: -95.408 flat angles P-C4'-P energy: -48.807 tors. eta vs tors. theta energy: -33.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2724.686668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.686668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.686668 (E_RNA) where: Base-Base interactions energy: -1922.046 where: short stacking energy: -775.058 Base-Backbone interact. energy: -1.384 local terms energy: -801.256820 where: bonds (distance) C4'-P energy: -148.266 bonds (distance) P-C4' energy: -143.483 flat angles C4'-P-C4' energy: -166.079 flat angles P-C4'-P energy: -117.202 tors. eta vs tors. theta energy: -226.227 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: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2666.865275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.865275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.865275 (E_RNA) where: Base-Base interactions energy: -1901.627 where: short stacking energy: -768.406 Base-Backbone interact. energy: -3.077 local terms energy: -762.161242 where: bonds (distance) C4'-P energy: -130.165 bonds (distance) P-C4' energy: -143.085 flat angles C4'-P-C4' energy: -150.405 flat angles P-C4'-P energy: -105.826 tors. eta vs tors. theta energy: -232.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2522.929138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.929138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.929138 (E_RNA) where: Base-Base interactions energy: -1806.040 where: short stacking energy: -772.660 Base-Backbone interact. energy: -0.370 local terms energy: -716.518943 where: bonds (distance) C4'-P energy: -106.160 bonds (distance) P-C4' energy: -130.711 flat angles C4'-P-C4' energy: -151.550 flat angles P-C4'-P energy: -90.886 tors. eta vs tors. theta energy: -237.212 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: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2457.775114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.775114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.775114 (E_RNA) where: Base-Base interactions energy: -1743.000 where: short stacking energy: -747.344 Base-Backbone interact. energy: -2.141 local terms energy: -712.633910 where: bonds (distance) C4'-P energy: -108.291 bonds (distance) P-C4' energy: -125.422 flat angles C4'-P-C4' energy: -156.236 flat angles P-C4'-P energy: -96.937 tors. eta vs tors. theta energy: -225.748 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: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2424.397829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.397829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.397829 (E_RNA) where: Base-Base interactions energy: -1721.403 where: short stacking energy: -718.598 Base-Backbone interact. energy: -1.512 local terms energy: -701.483011 where: bonds (distance) C4'-P energy: -117.222 bonds (distance) P-C4' energy: -113.482 flat angles C4'-P-C4' energy: -148.401 flat angles P-C4'-P energy: -97.302 tors. eta vs tors. theta energy: -225.076 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: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2222.439378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.439378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.439378 (E_RNA) where: Base-Base interactions energy: -1550.142 where: short stacking energy: -602.168 Base-Backbone interact. energy: -2.428 local terms energy: -669.869211 where: bonds (distance) C4'-P energy: -123.263 bonds (distance) P-C4' energy: -123.627 flat angles C4'-P-C4' energy: -144.175 flat angles P-C4'-P energy: -103.469 tors. eta vs tors. theta energy: -175.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2261.148574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.148574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.148574 (E_RNA) where: Base-Base interactions energy: -1575.238 where: short stacking energy: -638.283 Base-Backbone interact. energy: -0.697 local terms energy: -685.213157 where: bonds (distance) C4'-P energy: -116.594 bonds (distance) P-C4' energy: -116.997 flat angles C4'-P-C4' energy: -148.804 flat angles P-C4'-P energy: -99.777 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: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -2150.972046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.972046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.972046 (E_RNA) where: Base-Base interactions energy: -1549.867 where: short stacking energy: -612.626 Base-Backbone interact. energy: -1.936 local terms energy: -599.169883 where: bonds (distance) C4'-P energy: -107.888 bonds (distance) P-C4' energy: -105.122 flat angles C4'-P-C4' energy: -126.466 flat angles P-C4'-P energy: -88.543 tors. eta vs tors. theta energy: -171.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1745.495276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.495276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.495276 (E_RNA) where: Base-Base interactions energy: -1181.991 where: short stacking energy: -498.495 Base-Backbone interact. energy: -3.300 local terms energy: -560.204135 where: bonds (distance) C4'-P energy: -113.777 bonds (distance) P-C4' energy: -118.696 flat angles C4'-P-C4' energy: -119.292 flat angles P-C4'-P energy: -78.638 tors. eta vs tors. theta energy: -129.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1009.218863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.218863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.218863 (E_RNA) where: Base-Base interactions energy: -594.712 where: short stacking energy: -292.672 Base-Backbone interact. energy: -1.445 local terms energy: -413.061102 where: bonds (distance) C4'-P energy: -116.163 bonds (distance) P-C4' energy: -96.957 flat angles C4'-P-C4' energy: -97.174 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -42.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2679.595290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.595290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.595290 (E_RNA) where: Base-Base interactions energy: -1908.933 where: short stacking energy: -781.847 Base-Backbone interact. energy: 7.636 local terms energy: -778.297812 where: bonds (distance) C4'-P energy: -126.263 bonds (distance) P-C4' energy: -141.513 flat angles C4'-P-C4' energy: -167.091 flat angles P-C4'-P energy: -108.844 tors. eta vs tors. theta energy: -234.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2647.717812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.717812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.717812 (E_RNA) where: Base-Base interactions energy: -1885.158 where: short stacking energy: -760.318 Base-Backbone interact. energy: -1.618 local terms energy: -760.941195 where: bonds (distance) C4'-P energy: -128.400 bonds (distance) P-C4' energy: -139.408 flat angles C4'-P-C4' energy: -150.151 flat angles P-C4'-P energy: -125.490 tors. eta vs tors. theta energy: -217.492 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: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2530.019887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.019887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.019887 (E_RNA) where: Base-Base interactions energy: -1795.673 where: short stacking energy: -751.593 Base-Backbone interact. energy: -1.639 local terms energy: -732.707657 where: bonds (distance) C4'-P energy: -122.061 bonds (distance) P-C4' energy: -121.519 flat angles C4'-P-C4' energy: -156.012 flat angles P-C4'-P energy: -104.372 tors. eta vs tors. theta energy: -228.745 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: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2477.049721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.049721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.049721 (E_RNA) where: Base-Base interactions energy: -1741.298 where: short stacking energy: -697.574 Base-Backbone interact. energy: -1.949 local terms energy: -733.802640 where: bonds (distance) C4'-P energy: -126.263 bonds (distance) P-C4' energy: -126.701 flat angles C4'-P-C4' energy: -154.023 flat angles P-C4'-P energy: -107.487 tors. eta vs tors. theta energy: -219.329 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: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2467.046029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.046029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.046029 (E_RNA) where: Base-Base interactions energy: -1748.901 where: short stacking energy: -695.003 Base-Backbone interact. energy: -1.058 local terms energy: -717.086740 where: bonds (distance) C4'-P energy: -127.062 bonds (distance) P-C4' energy: -117.581 flat angles C4'-P-C4' energy: -158.217 flat angles P-C4'-P energy: -94.419 tors. eta vs tors. theta energy: -219.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2254.003963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.003963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.003963 (E_RNA) where: Base-Base interactions energy: -1612.717 where: short stacking energy: -630.977 Base-Backbone interact. energy: -1.911 local terms energy: -639.375984 where: bonds (distance) C4'-P energy: -108.372 bonds (distance) P-C4' energy: -122.171 flat angles C4'-P-C4' energy: -130.941 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -188.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2211.146352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.146352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.146352 (E_RNA) where: Base-Base interactions energy: -1583.561 where: short stacking energy: -650.130 Base-Backbone interact. energy: -1.606 local terms energy: -625.978650 where: bonds (distance) C4'-P energy: -109.758 bonds (distance) P-C4' energy: -97.729 flat angles C4'-P-C4' energy: -134.674 flat angles P-C4'-P energy: -91.095 tors. eta vs tors. theta energy: -192.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2164.197632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.197632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.197632 (E_RNA) where: Base-Base interactions energy: -1584.857 where: short stacking energy: -639.660 Base-Backbone interact. energy: 0.176 local terms energy: -579.517136 where: bonds (distance) C4'-P energy: -81.026 bonds (distance) P-C4' energy: -97.355 flat angles C4'-P-C4' energy: -139.597 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -185.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1692.187197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.187197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.187197 (E_RNA) where: Base-Base interactions energy: -1171.907 where: short stacking energy: -488.341 Base-Backbone interact. energy: -0.237 local terms energy: -520.042465 where: bonds (distance) C4'-P energy: -94.214 bonds (distance) P-C4' energy: -103.957 flat angles C4'-P-C4' energy: -110.980 flat angles P-C4'-P energy: -82.690 tors. eta vs tors. theta energy: -128.201 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: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1029.160626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.160626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.160626 (E_RNA) where: Base-Base interactions energy: -602.964 where: short stacking energy: -293.584 Base-Backbone interact. energy: -1.971 local terms energy: -424.226276 where: bonds (distance) C4'-P energy: -115.954 bonds (distance) P-C4' energy: -94.919 flat angles C4'-P-C4' energy: -93.300 flat angles P-C4'-P energy: -80.624 tors. eta vs tors. theta energy: -39.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2676.882395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.882395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.882395 (E_RNA) where: Base-Base interactions energy: -1912.834 where: short stacking energy: -781.340 Base-Backbone interact. energy: 0.367 local terms energy: -764.415574 where: bonds (distance) C4'-P energy: -134.325 bonds (distance) P-C4' energy: -132.635 flat angles C4'-P-C4' energy: -149.096 flat angles P-C4'-P energy: -111.294 tors. eta vs tors. theta energy: -237.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2642.358754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.358754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.358754 (E_RNA) where: Base-Base interactions energy: -1931.708 where: short stacking energy: -769.752 Base-Backbone interact. energy: -2.551 local terms energy: -708.099753 where: bonds (distance) C4'-P energy: -121.215 bonds (distance) P-C4' energy: -118.845 flat angles C4'-P-C4' energy: -143.478 flat angles P-C4'-P energy: -112.206 tors. eta vs tors. theta energy: -212.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2556.354255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.354255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.354255 (E_RNA) where: Base-Base interactions energy: -1807.381 where: short stacking energy: -758.372 Base-Backbone interact. energy: 1.519 local terms energy: -750.491855 where: bonds (distance) C4'-P energy: -125.659 bonds (distance) P-C4' energy: -135.957 flat angles C4'-P-C4' energy: -154.343 flat angles P-C4'-P energy: -108.048 tors. eta vs tors. theta energy: -226.484 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: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2449.818902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.818902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.818902 (E_RNA) where: Base-Base interactions energy: -1730.803 where: short stacking energy: -699.372 Base-Backbone interact. energy: -0.647 local terms energy: -718.369062 where: bonds (distance) C4'-P energy: -112.562 bonds (distance) P-C4' energy: -117.310 flat angles C4'-P-C4' energy: -161.737 flat angles P-C4'-P energy: -106.446 tors. eta vs tors. theta energy: -220.314 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: 5, replica: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2418.474372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.474372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.474372 (E_RNA) where: Base-Base interactions energy: -1704.458 where: short stacking energy: -726.745 Base-Backbone interact. energy: 0.228 local terms energy: -714.244857 where: bonds (distance) C4'-P energy: -117.538 bonds (distance) P-C4' energy: -108.771 flat angles C4'-P-C4' energy: -151.309 flat angles P-C4'-P energy: -101.924 tors. eta vs tors. theta energy: -234.703 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: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2302.791404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.791404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.791404 (E_RNA) where: Base-Base interactions energy: -1629.840 where: short stacking energy: -665.858 Base-Backbone interact. energy: -1.632 local terms energy: -671.319584 where: bonds (distance) C4'-P energy: -124.703 bonds (distance) P-C4' energy: -110.410 flat angles C4'-P-C4' energy: -139.823 flat angles P-C4'-P energy: -88.799 tors. eta vs tors. theta energy: -207.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2232.094146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.094146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.094146 (E_RNA) where: Base-Base interactions energy: -1583.351 where: short stacking energy: -638.710 Base-Backbone interact. energy: 4.499 local terms energy: -653.241515 where: bonds (distance) C4'-P energy: -98.108 bonds (distance) P-C4' energy: -132.341 flat angles C4'-P-C4' energy: -138.136 flat angles P-C4'-P energy: -94.752 tors. eta vs tors. theta energy: -189.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -2174.800401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.800401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.800401 (E_RNA) where: Base-Base interactions energy: -1558.002 where: short stacking energy: -618.741 Base-Backbone interact. energy: -0.816 local terms energy: -615.982116 where: bonds (distance) C4'-P energy: -113.091 bonds (distance) P-C4' energy: -110.262 flat angles C4'-P-C4' energy: -136.614 flat angles P-C4'-P energy: -73.455 tors. eta vs tors. theta energy: -182.561 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: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1836.461808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.461808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.461808 (E_RNA) where: Base-Base interactions energy: -1278.178 where: short stacking energy: -528.588 Base-Backbone interact. energy: 1.166 local terms energy: -559.449756 where: bonds (distance) C4'-P energy: -100.068 bonds (distance) P-C4' energy: -115.445 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -82.389 tors. eta vs tors. theta energy: -159.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -964.981922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.981922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.981922 (E_RNA) where: Base-Base interactions energy: -529.330 where: short stacking energy: -273.132 Base-Backbone interact. energy: 1.419 local terms energy: -437.070847 where: bonds (distance) C4'-P energy: -104.424 bonds (distance) P-C4' energy: -115.396 flat angles C4'-P-C4' energy: -112.068 flat angles P-C4'-P energy: -85.688 tors. eta vs tors. theta energy: -19.495 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: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2683.184207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.184207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.184207 (E_RNA) where: Base-Base interactions energy: -1921.938 where: short stacking energy: -765.931 Base-Backbone interact. energy: -1.217 local terms energy: -760.029520 where: bonds (distance) C4'-P energy: -119.610 bonds (distance) P-C4' energy: -136.118 flat angles C4'-P-C4' energy: -167.912 flat angles P-C4'-P energy: -106.738 tors. eta vs tors. theta energy: -229.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2634.674224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.674224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.674224 (E_RNA) where: Base-Base interactions energy: -1868.026 where: short stacking energy: -737.268 Base-Backbone interact. energy: -3.732 local terms energy: -762.916235 where: bonds (distance) C4'-P energy: -135.696 bonds (distance) P-C4' energy: -143.727 flat angles C4'-P-C4' energy: -156.044 flat angles P-C4'-P energy: -101.544 tors. eta vs tors. theta energy: -225.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2522.683811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.683811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.683811 (E_RNA) where: Base-Base interactions energy: -1770.711 where: short stacking energy: -734.245 Base-Backbone interact. energy: -3.228 local terms energy: -748.744722 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -128.261 flat angles C4'-P-C4' energy: -154.246 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -235.413 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: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2527.110797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.110797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.110797 (E_RNA) where: Base-Base interactions energy: -1799.624 where: short stacking energy: -748.559 Base-Backbone interact. energy: -0.510 local terms energy: -726.977204 where: bonds (distance) C4'-P energy: -122.161 bonds (distance) P-C4' energy: -127.976 flat angles C4'-P-C4' energy: -150.041 flat angles P-C4'-P energy: -94.364 tors. eta vs tors. theta energy: -232.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2376.544987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.544987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.544987 (E_RNA) where: Base-Base interactions energy: -1688.762 where: short stacking energy: -699.890 Base-Backbone interact. energy: 0.895 local terms energy: -688.678111 where: bonds (distance) C4'-P energy: -110.411 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -148.588 flat angles P-C4'-P energy: -98.727 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: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2249.957633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.957633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.957633 (E_RNA) where: Base-Base interactions energy: -1591.869 where: short stacking energy: -666.139 Base-Backbone interact. energy: -2.381 local terms energy: -655.708132 where: bonds (distance) C4'-P energy: -122.777 bonds (distance) P-C4' energy: -96.743 flat angles C4'-P-C4' energy: -143.603 flat angles P-C4'-P energy: -93.767 tors. eta vs tors. theta energy: -198.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2205.455146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.455146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.455146 (E_RNA) where: Base-Base interactions energy: -1576.898 where: short stacking energy: -636.645 Base-Backbone interact. energy: 4.335 local terms energy: -632.891850 where: bonds (distance) C4'-P energy: -106.426 bonds (distance) P-C4' energy: -114.836 flat angles C4'-P-C4' energy: -143.680 flat angles P-C4'-P energy: -70.678 tors. eta vs tors. theta energy: -197.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -2153.755283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.755283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.755283 (E_RNA) where: Base-Base interactions energy: -1519.271 where: short stacking energy: -579.233 Base-Backbone interact. energy: -2.257 local terms energy: -632.227833 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -118.449 flat angles C4'-P-C4' energy: -144.231 flat angles P-C4'-P energy: -96.262 tors. eta vs tors. theta energy: -168.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1732.857978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.857978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.857978 (E_RNA) where: Base-Base interactions energy: -1184.449 where: short stacking energy: -485.560 Base-Backbone interact. energy: 1.089 local terms energy: -549.498105 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -115.558 flat angles C4'-P-C4' energy: -126.749 flat angles P-C4'-P energy: -58.337 tors. eta vs tors. theta energy: -123.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -956.189390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.189390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.189390 (E_RNA) where: Base-Base interactions energy: -552.669 where: short stacking energy: -258.879 Base-Backbone interact. energy: 2.292 local terms energy: -405.812830 where: bonds (distance) C4'-P energy: -92.925 bonds (distance) P-C4' energy: -122.048 flat angles C4'-P-C4' energy: -123.516 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: -15.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2681.436262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.436262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.436262 (E_RNA) where: Base-Base interactions energy: -1930.026 where: short stacking energy: -779.840 Base-Backbone interact. energy: -2.484 local terms energy: -748.925691 where: bonds (distance) C4'-P energy: -136.813 bonds (distance) P-C4' energy: -125.336 flat angles C4'-P-C4' energy: -159.778 flat angles P-C4'-P energy: -102.321 tors. eta vs tors. theta energy: -224.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2639.171290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.171290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.171290 (E_RNA) where: Base-Base interactions energy: -1872.753 where: short stacking energy: -749.181 Base-Backbone interact. energy: -2.807 local terms energy: -763.610869 where: bonds (distance) C4'-P energy: -122.362 bonds (distance) P-C4' energy: -135.047 flat angles C4'-P-C4' energy: -153.509 flat angles P-C4'-P energy: -121.439 tors. eta vs tors. theta energy: -231.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2546.233846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.233846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.233846 (E_RNA) where: Base-Base interactions energy: -1804.438 where: short stacking energy: -739.715 Base-Backbone interact. energy: 3.346 local terms energy: -745.141604 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -124.767 flat angles C4'-P-C4' energy: -150.982 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -230.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2454.418654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.418654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.418654 (E_RNA) where: Base-Base interactions energy: -1719.582 where: short stacking energy: -726.174 Base-Backbone interact. energy: -1.456 local terms energy: -733.380634 where: bonds (distance) C4'-P energy: -119.248 bonds (distance) P-C4' energy: -131.919 flat angles C4'-P-C4' energy: -161.146 flat angles P-C4'-P energy: -100.886 tors. eta vs tors. theta energy: -220.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2415.213789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.213789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.213789 (E_RNA) where: Base-Base interactions energy: -1727.875 where: short stacking energy: -707.195 Base-Backbone interact. energy: -4.623 local terms energy: -682.715713 where: bonds (distance) C4'-P energy: -114.524 bonds (distance) P-C4' energy: -122.964 flat angles C4'-P-C4' energy: -144.831 flat angles P-C4'-P energy: -87.099 tors. eta vs tors. theta energy: -213.297 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: 487 Temperature: 1.150000 Total energy: -2273.948752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.948752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.948752 (E_RNA) where: Base-Base interactions energy: -1605.295 where: short stacking energy: -651.425 Base-Backbone interact. energy: 1.591 local terms energy: -670.245083 where: bonds (distance) C4'-P energy: -104.382 bonds (distance) P-C4' energy: -130.424 flat angles C4'-P-C4' energy: -134.354 flat angles P-C4'-P energy: -93.895 tors. eta vs tors. theta energy: -207.190 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: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2233.707873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.707873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.707873 (E_RNA) where: Base-Base interactions energy: -1586.105 where: short stacking energy: -654.842 Base-Backbone interact. energy: -2.907 local terms energy: -644.696489 where: bonds (distance) C4'-P energy: -98.147 bonds (distance) P-C4' energy: -103.872 flat angles C4'-P-C4' energy: -133.144 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -209.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -2081.581502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.581502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.581502 (E_RNA) where: Base-Base interactions energy: -1495.632 where: short stacking energy: -598.300 Base-Backbone interact. energy: -0.625 local terms energy: -585.324850 where: bonds (distance) C4'-P energy: -97.757 bonds (distance) P-C4' energy: -103.025 flat angles C4'-P-C4' energy: -139.861 flat angles P-C4'-P energy: -80.226 tors. eta vs tors. theta energy: -164.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1721.155698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.155698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.155698 (E_RNA) where: Base-Base interactions energy: -1194.340 where: short stacking energy: -502.338 Base-Backbone interact. energy: 0.636 local terms energy: -527.451772 where: bonds (distance) C4'-P energy: -90.937 bonds (distance) P-C4' energy: -106.690 flat angles C4'-P-C4' energy: -132.948 flat angles P-C4'-P energy: -67.850 tors. eta vs tors. theta energy: -129.027 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: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -983.903365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.903365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.903365 (E_RNA) where: Base-Base interactions energy: -558.381 where: short stacking energy: -267.346 Base-Backbone interact. energy: 1.013 local terms energy: -426.535374 where: bonds (distance) C4'-P energy: -115.635 bonds (distance) P-C4' energy: -126.135 flat angles C4'-P-C4' energy: -89.436 flat angles P-C4'-P energy: -49.123 tors. eta vs tors. theta energy: -46.206 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: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2681.968550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.968550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.968550 (E_RNA) where: Base-Base interactions energy: -1941.829 where: short stacking energy: -798.307 Base-Backbone interact. energy: 2.025 local terms energy: -742.164487 where: bonds (distance) C4'-P energy: -129.470 bonds (distance) P-C4' energy: -135.646 flat angles C4'-P-C4' energy: -145.774 flat angles P-C4'-P energy: -103.691 tors. eta vs tors. theta energy: -227.583 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: 2, replica: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2638.213005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.213005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.213005 (E_RNA) where: Base-Base interactions energy: -1875.983 where: short stacking energy: -764.689 Base-Backbone interact. energy: -2.729 local terms energy: -759.500505 where: bonds (distance) C4'-P energy: -122.079 bonds (distance) P-C4' energy: -125.591 flat angles C4'-P-C4' energy: -164.907 flat angles P-C4'-P energy: -108.678 tors. eta vs tors. theta energy: -238.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2583.796021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.796021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.796021 (E_RNA) where: Base-Base interactions energy: -1811.910 where: short stacking energy: -776.819 Base-Backbone interact. energy: 3.062 local terms energy: -774.947830 where: bonds (distance) C4'-P energy: -131.623 bonds (distance) P-C4' energy: -128.597 flat angles C4'-P-C4' energy: -167.984 flat angles P-C4'-P energy: -102.691 tors. eta vs tors. theta energy: -244.053 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: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2435.186212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.186212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.186212 (E_RNA) where: Base-Base interactions energy: -1700.323 where: short stacking energy: -721.521 Base-Backbone interact. energy: -0.151 local terms energy: -734.711406 where: bonds (distance) C4'-P energy: -129.782 bonds (distance) P-C4' energy: -129.311 flat angles C4'-P-C4' energy: -148.594 flat angles P-C4'-P energy: -104.060 tors. eta vs tors. theta energy: -222.964 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: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2424.002333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.002333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.002333 (E_RNA) where: Base-Base interactions energy: -1744.668 where: short stacking energy: -723.897 Base-Backbone interact. energy: -1.378 local terms energy: -677.956313 where: bonds (distance) C4'-P energy: -102.404 bonds (distance) P-C4' energy: -114.468 flat angles C4'-P-C4' energy: -148.215 flat angles P-C4'-P energy: -89.542 tors. eta vs tors. theta energy: -223.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2294.095247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.095247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.095247 (E_RNA) where: Base-Base interactions energy: -1620.635 where: short stacking energy: -650.959 Base-Backbone interact. energy: -3.045 local terms energy: -670.415519 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -119.274 flat angles C4'-P-C4' energy: -147.830 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -203.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2206.397197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.397197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.397197 (E_RNA) where: Base-Base interactions energy: -1587.119 where: short stacking energy: -653.109 Base-Backbone interact. energy: -1.450 local terms energy: -617.828006 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -116.889 flat angles C4'-P-C4' energy: -112.951 flat angles P-C4'-P energy: -78.675 tors. eta vs tors. theta energy: -204.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -2116.548608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.548608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.548608 (E_RNA) where: Base-Base interactions energy: -1528.465 where: short stacking energy: -636.792 Base-Backbone interact. energy: -0.508 local terms energy: -587.575868 where: bonds (distance) C4'-P energy: -95.877 bonds (distance) P-C4' energy: -107.364 flat angles C4'-P-C4' energy: -130.851 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -169.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1645.670648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.670648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.670648 (E_RNA) where: Base-Base interactions energy: -1110.915 where: short stacking energy: -459.979 Base-Backbone interact. energy: -1.348 local terms energy: -533.407588 where: bonds (distance) C4'-P energy: -104.669 bonds (distance) P-C4' energy: -103.277 flat angles C4'-P-C4' energy: -121.487 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -129.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1043.455393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.455393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.455393 (E_RNA) where: Base-Base interactions energy: -635.421 where: short stacking energy: -309.773 Base-Backbone interact. energy: -1.191 local terms energy: -406.843745 where: bonds (distance) C4'-P energy: -99.422 bonds (distance) P-C4' energy: -109.145 flat angles C4'-P-C4' energy: -101.525 flat angles P-C4'-P energy: -60.189 tors. eta vs tors. theta energy: -36.563 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: 8 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2704.906992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.906992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.906992 (E_RNA) where: Base-Base interactions energy: -1939.918 where: short stacking energy: -775.613 Base-Backbone interact. energy: -1.874 local terms energy: -763.115520 where: bonds (distance) C4'-P energy: -136.953 bonds (distance) P-C4' energy: -125.981 flat angles C4'-P-C4' energy: -163.293 flat angles P-C4'-P energy: -106.719 tors. eta vs tors. theta energy: -230.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2644.813138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.813138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.813138 (E_RNA) where: Base-Base interactions energy: -1872.902 where: short stacking energy: -781.179 Base-Backbone interact. energy: -2.161 local terms energy: -769.750581 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -127.876 flat angles C4'-P-C4' energy: -159.513 flat angles P-C4'-P energy: -107.058 tors. eta vs tors. theta energy: -242.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2542.164790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.164790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.164790 (E_RNA) where: Base-Base interactions energy: -1812.020 where: short stacking energy: -745.663 Base-Backbone interact. energy: -1.777 local terms energy: -728.367327 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -140.237 flat angles C4'-P-C4' energy: -145.236 flat angles P-C4'-P energy: -88.968 tors. eta vs tors. theta energy: -234.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2438.353365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.353365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.353365 (E_RNA) where: Base-Base interactions energy: -1720.800 where: short stacking energy: -715.986 Base-Backbone interact. energy: -1.438 local terms energy: -716.115452 where: bonds (distance) C4'-P energy: -125.168 bonds (distance) P-C4' energy: -131.875 flat angles C4'-P-C4' energy: -137.605 flat angles P-C4'-P energy: -99.138 tors. eta vs tors. theta energy: -222.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2369.501781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.501781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.501781 (E_RNA) where: Base-Base interactions energy: -1681.460 where: short stacking energy: -703.381 Base-Backbone interact. energy: -2.187 local terms energy: -685.854552 where: bonds (distance) C4'-P energy: -126.912 bonds (distance) P-C4' energy: -118.804 flat angles C4'-P-C4' energy: -140.185 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -218.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2279.479153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.479153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.479153 (E_RNA) where: Base-Base interactions energy: -1609.198 where: short stacking energy: -668.225 Base-Backbone interact. energy: -2.607 local terms energy: -667.673647 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -116.051 flat angles C4'-P-C4' energy: -140.341 flat angles P-C4'-P energy: -99.063 tors. eta vs tors. theta energy: -197.611 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: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2209.607726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.607726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.607726 (E_RNA) where: Base-Base interactions energy: -1573.449 where: short stacking energy: -656.029 Base-Backbone interact. energy: 0.735 local terms energy: -636.893153 where: bonds (distance) C4'-P energy: -105.543 bonds (distance) P-C4' energy: -117.342 flat angles C4'-P-C4' energy: -133.252 flat angles P-C4'-P energy: -79.243 tors. eta vs tors. theta energy: -201.513 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: 8, replica: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -2068.273026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.273026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.273026 (E_RNA) where: Base-Base interactions energy: -1501.372 where: short stacking energy: -602.722 Base-Backbone interact. energy: 0.557 local terms energy: -567.457883 where: bonds (distance) C4'-P energy: -83.673 bonds (distance) P-C4' energy: -96.266 flat angles C4'-P-C4' energy: -136.000 flat angles P-C4'-P energy: -81.340 tors. eta vs tors. theta energy: -170.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1713.841967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.841967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.841967 (E_RNA) where: Base-Base interactions energy: -1175.810 where: short stacking energy: -497.858 Base-Backbone interact. energy: -0.708 local terms energy: -537.323482 where: bonds (distance) C4'-P energy: -116.244 bonds (distance) P-C4' energy: -111.577 flat angles C4'-P-C4' energy: -114.144 flat angles P-C4'-P energy: -69.666 tors. eta vs tors. theta energy: -125.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1047.341506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.341506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.341506 (E_RNA) where: Base-Base interactions energy: -661.039 where: short stacking energy: -295.049 Base-Backbone interact. energy: 0.317 local terms energy: -386.619472 where: bonds (distance) C4'-P energy: -86.040 bonds (distance) P-C4' energy: -113.848 flat angles C4'-P-C4' energy: -100.469 flat angles P-C4'-P energy: -58.845 tors. eta vs tors. theta energy: -27.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2704.250731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.250731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.250731 (E_RNA) where: Base-Base interactions energy: -1944.020 where: short stacking energy: -770.463 Base-Backbone interact. energy: -4.099 local terms energy: -756.132577 where: bonds (distance) C4'-P energy: -135.330 bonds (distance) P-C4' energy: -128.423 flat angles C4'-P-C4' energy: -162.736 flat angles P-C4'-P energy: -107.846 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: 2, replica: 1 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2651.568636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.568636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.568636 (E_RNA) where: Base-Base interactions energy: -1882.025 where: short stacking energy: -748.634 Base-Backbone interact. energy: -5.828 local terms energy: -763.715753 where: bonds (distance) C4'-P energy: -142.555 bonds (distance) P-C4' energy: -135.015 flat angles C4'-P-C4' energy: -158.890 flat angles P-C4'-P energy: -99.487 tors. eta vs tors. theta energy: -227.770 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: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2552.843330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.843330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.843330 (E_RNA) where: Base-Base interactions energy: -1808.920 where: short stacking energy: -750.755 Base-Backbone interact. energy: -1.713 local terms energy: -742.209797 where: bonds (distance) C4'-P energy: -124.870 bonds (distance) P-C4' energy: -126.017 flat angles C4'-P-C4' energy: -153.225 flat angles P-C4'-P energy: -98.035 tors. eta vs tors. theta energy: -240.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2431.390034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.390034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.390034 (E_RNA) where: Base-Base interactions energy: -1713.039 where: short stacking energy: -697.395 Base-Backbone interact. energy: -0.626 local terms energy: -717.724176 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -107.289 flat angles C4'-P-C4' energy: -157.207 flat angles P-C4'-P energy: -101.717 tors. eta vs tors. theta energy: -224.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2405.957606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.957606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.957606 (E_RNA) where: Base-Base interactions energy: -1685.370 where: short stacking energy: -695.654 Base-Backbone interact. energy: 1.786 local terms energy: -722.374228 where: bonds (distance) C4'-P energy: -127.514 bonds (distance) P-C4' energy: -132.865 flat angles C4'-P-C4' energy: -146.354 flat angles P-C4'-P energy: -89.389 tors. eta vs tors. theta energy: -226.253 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: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2347.275294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.275294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.275294 (E_RNA) where: Base-Base interactions energy: -1663.777 where: short stacking energy: -684.823 Base-Backbone interact. energy: -1.817 local terms energy: -681.681466 where: bonds (distance) C4'-P energy: -117.347 bonds (distance) P-C4' energy: -122.103 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -91.273 tors. eta vs tors. theta energy: -210.182 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: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2240.151620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.151620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.151620 (E_RNA) where: Base-Base interactions energy: -1604.504 where: short stacking energy: -653.520 Base-Backbone interact. energy: 1.650 local terms energy: -637.297420 where: bonds (distance) C4'-P energy: -101.096 bonds (distance) P-C4' energy: -104.006 flat angles C4'-P-C4' energy: -132.009 flat angles P-C4'-P energy: -100.921 tors. eta vs tors. theta energy: -199.266 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: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -2062.237868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.237868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.237868 (E_RNA) where: Base-Base interactions energy: -1459.771 where: short stacking energy: -577.327 Base-Backbone interact. energy: 3.207 local terms energy: -605.673234 where: bonds (distance) C4'-P energy: -108.673 bonds (distance) P-C4' energy: -114.670 flat angles C4'-P-C4' energy: -128.255 flat angles P-C4'-P energy: -85.421 tors. eta vs tors. theta energy: -168.654 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: 3 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1611.059701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.059701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.059701 (E_RNA) where: Base-Base interactions energy: -1101.870 where: short stacking energy: -464.283 Base-Backbone interact. energy: 0.775 local terms energy: -509.964871 where: bonds (distance) C4'-P energy: -117.878 bonds (distance) P-C4' energy: -100.651 flat angles C4'-P-C4' energy: -112.935 flat angles P-C4'-P energy: -71.229 tors. eta vs tors. theta energy: -107.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1049.768806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.768806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.768806 (E_RNA) where: Base-Base interactions energy: -608.703 where: short stacking energy: -295.409 Base-Backbone interact. energy: 8.046 local terms energy: -449.111971 where: bonds (distance) C4'-P energy: -117.180 bonds (distance) P-C4' energy: -119.755 flat angles C4'-P-C4' energy: -97.489 flat angles P-C4'-P energy: -67.695 tors. eta vs tors. theta energy: -46.993 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: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2689.154715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.154715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.154715 (E_RNA) where: Base-Base interactions energy: -1922.345 where: short stacking energy: -764.278 Base-Backbone interact. energy: -0.701 local terms energy: -766.108860 where: bonds (distance) C4'-P energy: -136.118 bonds (distance) P-C4' energy: -134.511 flat angles C4'-P-C4' energy: -158.259 flat angles P-C4'-P energy: -114.648 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: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2655.302148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.302148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.302148 (E_RNA) where: Base-Base interactions energy: -1880.633 where: short stacking energy: -764.920 Base-Backbone interact. energy: -3.599 local terms energy: -771.070475 where: bonds (distance) C4'-P energy: -125.040 bonds (distance) P-C4' energy: -142.159 flat angles C4'-P-C4' energy: -163.586 flat angles P-C4'-P energy: -99.782 tors. eta vs tors. theta energy: -240.503 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: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2578.534673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.534673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.534673 (E_RNA) where: Base-Base interactions energy: -1826.767 where: short stacking energy: -783.741 Base-Backbone interact. energy: -1.853 local terms energy: -749.914336 where: bonds (distance) C4'-P energy: -131.623 bonds (distance) P-C4' energy: -119.333 flat angles C4'-P-C4' energy: -168.620 flat angles P-C4'-P energy: -100.407 tors. eta vs tors. theta energy: -229.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2479.899844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.899844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.899844 (E_RNA) where: Base-Base interactions energy: -1759.293 where: short stacking energy: -742.636 Base-Backbone interact. energy: -1.301 local terms energy: -719.306279 where: bonds (distance) C4'-P energy: -120.460 bonds (distance) P-C4' energy: -127.792 flat angles C4'-P-C4' energy: -137.315 flat angles P-C4'-P energy: -100.067 tors. eta vs tors. theta energy: -233.672 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: 2 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2354.855298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.855298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.855298 (E_RNA) where: Base-Base interactions energy: -1660.233 where: short stacking energy: -667.849 Base-Backbone interact. energy: -3.798 local terms energy: -690.824727 where: bonds (distance) C4'-P energy: -118.424 bonds (distance) P-C4' energy: -120.654 flat angles C4'-P-C4' energy: -140.998 flat angles P-C4'-P energy: -91.767 tors. eta vs tors. theta energy: -218.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2345.398190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.398190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.398190 (E_RNA) where: Base-Base interactions energy: -1678.328 where: short stacking energy: -685.419 Base-Backbone interact. energy: 0.063 local terms energy: -667.132947 where: bonds (distance) C4'-P energy: -106.399 bonds (distance) P-C4' energy: -113.239 flat angles C4'-P-C4' energy: -141.130 flat angles P-C4'-P energy: -84.066 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: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2205.519108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.519108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.519108 (E_RNA) where: Base-Base interactions energy: -1539.966 where: short stacking energy: -620.431 Base-Backbone interact. energy: -1.792 local terms energy: -663.760235 where: bonds (distance) C4'-P energy: -110.558 bonds (distance) P-C4' energy: -114.298 flat angles C4'-P-C4' energy: -145.346 flat angles P-C4'-P energy: -101.899 tors. eta vs tors. theta energy: -191.660 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: 491 Temperature: 1.250000 Total energy: -2132.919627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.919627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.919627 (E_RNA) where: Base-Base interactions energy: -1502.932 where: short stacking energy: -583.845 Base-Backbone interact. energy: 3.438 local terms energy: -633.425546 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -99.831 flat angles C4'-P-C4' energy: -132.650 flat angles P-C4'-P energy: -85.600 tors. eta vs tors. theta energy: -184.312 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: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1558.820293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.820293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.820293 (E_RNA) where: Base-Base interactions energy: -1063.320 where: short stacking energy: -441.188 Base-Backbone interact. energy: -1.215 local terms energy: -494.285510 where: bonds (distance) C4'-P energy: -103.909 bonds (distance) P-C4' energy: -106.347 flat angles C4'-P-C4' energy: -106.083 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -103.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1034.772826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.772826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.772826 (E_RNA) where: Base-Base interactions energy: -648.016 where: short stacking energy: -289.102 Base-Backbone interact. energy: -3.663 local terms energy: -383.093981 where: bonds (distance) C4'-P energy: -87.248 bonds (distance) P-C4' energy: -102.270 flat angles C4'-P-C4' energy: -108.217 flat angles P-C4'-P energy: -61.613 tors. eta vs tors. theta energy: -23.745 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: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2678.167303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.167303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.167303 (E_RNA) where: Base-Base interactions energy: -1919.474 where: short stacking energy: -772.964 Base-Backbone interact. energy: 0.285 local terms energy: -758.978211 where: bonds (distance) C4'-P energy: -126.419 bonds (distance) P-C4' energy: -147.409 flat angles C4'-P-C4' energy: -158.936 flat angles P-C4'-P energy: -104.486 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: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2654.166386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.166386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.166386 (E_RNA) where: Base-Base interactions energy: -1878.961 where: short stacking energy: -755.965 Base-Backbone interact. energy: -0.138 local terms energy: -775.067265 where: bonds (distance) C4'-P energy: -136.658 bonds (distance) P-C4' energy: -146.627 flat angles C4'-P-C4' energy: -159.217 flat angles P-C4'-P energy: -100.772 tors. eta vs tors. theta energy: -231.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2513.843551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.843551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.843551 (E_RNA) where: Base-Base interactions energy: -1784.207 where: short stacking energy: -764.770 Base-Backbone interact. energy: -0.680 local terms energy: -728.955979 where: bonds (distance) C4'-P energy: -128.191 bonds (distance) P-C4' energy: -130.219 flat angles C4'-P-C4' energy: -144.901 flat angles P-C4'-P energy: -101.098 tors. eta vs tors. theta energy: -224.547 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: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2505.893061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.893061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.893061 (E_RNA) where: Base-Base interactions energy: -1756.351 where: short stacking energy: -709.394 Base-Backbone interact. energy: 0.162 local terms energy: -749.704227 where: bonds (distance) C4'-P energy: -120.857 bonds (distance) P-C4' energy: -139.301 flat angles C4'-P-C4' energy: -137.431 flat angles P-C4'-P energy: -116.715 tors. eta vs tors. theta energy: -235.399 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: 2 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2396.692568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.692568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.692568 (E_RNA) where: Base-Base interactions energy: -1705.979 where: short stacking energy: -694.189 Base-Backbone interact. energy: 1.732 local terms energy: -692.445830 where: bonds (distance) C4'-P energy: -118.446 bonds (distance) P-C4' energy: -123.168 flat angles C4'-P-C4' energy: -141.740 flat angles P-C4'-P energy: -97.906 tors. eta vs tors. theta energy: -211.186 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: 492 Temperature: 1.150000 Total energy: -2308.868534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.868534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.868534 (E_RNA) where: Base-Base interactions energy: -1618.537 where: short stacking energy: -659.831 Base-Backbone interact. energy: 3.119 local terms energy: -693.450199 where: bonds (distance) C4'-P energy: -127.857 bonds (distance) P-C4' energy: -119.682 flat angles C4'-P-C4' energy: -143.477 flat angles P-C4'-P energy: -98.402 tors. eta vs tors. theta energy: -204.032 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: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2213.219590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.219590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.219590 (E_RNA) where: Base-Base interactions energy: -1586.452 where: short stacking energy: -641.898 Base-Backbone interact. energy: -1.000 local terms energy: -625.767374 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -118.539 flat angles C4'-P-C4' energy: -141.358 flat angles P-C4'-P energy: -84.355 tors. eta vs tors. theta energy: -195.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -2100.224385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.224385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.224385 (E_RNA) where: Base-Base interactions energy: -1498.465 where: short stacking energy: -566.724 Base-Backbone interact. energy: 0.663 local terms energy: -602.422448 where: bonds (distance) C4'-P energy: -108.363 bonds (distance) P-C4' energy: -109.294 flat angles C4'-P-C4' energy: -136.404 flat angles P-C4'-P energy: -75.617 tors. eta vs tors. theta energy: -172.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1573.641976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.641976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.641976 (E_RNA) where: Base-Base interactions energy: -1040.590 where: short stacking energy: -426.735 Base-Backbone interact. energy: 1.000 local terms energy: -534.051746 where: bonds (distance) C4'-P energy: -119.548 bonds (distance) P-C4' energy: -100.675 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -83.008 tors. eta vs tors. theta energy: -110.910 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: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1020.415101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.415101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.415101 (E_RNA) where: Base-Base interactions energy: -592.725 where: short stacking energy: -260.740 Base-Backbone interact. energy: 6.556 local terms energy: -434.245737 where: bonds (distance) C4'-P energy: -116.972 bonds (distance) P-C4' energy: -122.367 flat angles C4'-P-C4' energy: -106.382 flat angles P-C4'-P energy: -63.416 tors. eta vs tors. theta energy: -25.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2676.363120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.363120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.363120 (E_RNA) where: Base-Base interactions energy: -1932.003 where: short stacking energy: -753.378 Base-Backbone interact. energy: 3.203 local terms energy: -747.562260 where: bonds (distance) C4'-P energy: -134.483 bonds (distance) P-C4' energy: -141.698 flat angles C4'-P-C4' energy: -152.804 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -224.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2656.019167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.019167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.019167 (E_RNA) where: Base-Base interactions energy: -1890.452 where: short stacking energy: -785.754 Base-Backbone interact. energy: -2.541 local terms energy: -763.026467 where: bonds (distance) C4'-P energy: -133.009 bonds (distance) P-C4' energy: -125.419 flat angles C4'-P-C4' energy: -155.238 flat angles P-C4'-P energy: -114.984 tors. eta vs tors. theta energy: -234.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2533.376640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.376640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.376640 (E_RNA) where: Base-Base interactions energy: -1805.763 where: short stacking energy: -770.602 Base-Backbone interact. energy: -1.650 local terms energy: -725.963719 where: bonds (distance) C4'-P energy: -113.612 bonds (distance) P-C4' energy: -120.959 flat angles C4'-P-C4' energy: -161.749 flat angles P-C4'-P energy: -96.070 tors. eta vs tors. theta energy: -233.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2490.520010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.520010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.520010 (E_RNA) where: Base-Base interactions energy: -1754.584 where: short stacking energy: -721.899 Base-Backbone interact. energy: 0.366 local terms energy: -736.302049 where: bonds (distance) C4'-P energy: -126.807 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -152.319 flat angles P-C4'-P energy: -99.996 tors. eta vs tors. theta energy: -231.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2401.559925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.559925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.559925 (E_RNA) where: Base-Base interactions energy: -1685.194 where: short stacking energy: -707.270 Base-Backbone interact. energy: -1.964 local terms energy: -714.401958 where: bonds (distance) C4'-P energy: -127.137 bonds (distance) P-C4' energy: -107.556 flat angles C4'-P-C4' energy: -149.542 flat angles P-C4'-P energy: -103.194 tors. eta vs tors. theta energy: -226.973 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: 9 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2294.391018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.391018 (E_RNA) where: Base-Base interactions energy: -1631.971 where: short stacking energy: -655.342 Base-Backbone interact. energy: -3.299 local terms energy: -659.120329 where: bonds (distance) C4'-P energy: -102.239 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -141.490 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: -199.096 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: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2186.758807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.758807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.758807 (E_RNA) where: Base-Base interactions energy: -1567.497 where: short stacking energy: -624.079 Base-Backbone interact. energy: -1.858 local terms energy: -617.403591 where: bonds (distance) C4'-P energy: -103.664 bonds (distance) P-C4' energy: -107.751 flat angles C4'-P-C4' energy: -141.842 flat angles P-C4'-P energy: -81.426 tors. eta vs tors. theta energy: -182.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -2152.983408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.983408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.983408 (E_RNA) where: Base-Base interactions energy: -1561.876 where: short stacking energy: -616.572 Base-Backbone interact. energy: 0.640 local terms energy: -591.747663 where: bonds (distance) C4'-P energy: -98.972 bonds (distance) P-C4' energy: -111.372 flat angles C4'-P-C4' energy: -125.958 flat angles P-C4'-P energy: -81.727 tors. eta vs tors. theta energy: -173.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1641.936814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.936814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.936814 (E_RNA) where: Base-Base interactions energy: -1165.803 where: short stacking energy: -495.453 Base-Backbone interact. energy: 2.001 local terms energy: -478.134494 where: bonds (distance) C4'-P energy: -91.776 bonds (distance) P-C4' energy: -95.173 flat angles C4'-P-C4' energy: -119.458 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -113.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -994.940599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.940599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.940599 (E_RNA) where: Base-Base interactions energy: -584.008 where: short stacking energy: -258.760 Base-Backbone interact. energy: 0.580 local terms energy: -411.512337 where: bonds (distance) C4'-P energy: -107.453 bonds (distance) P-C4' energy: -92.999 flat angles C4'-P-C4' energy: -117.396 flat angles P-C4'-P energy: -67.131 tors. eta vs tors. theta energy: -26.532 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: 1 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2717.309974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.309974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.309974 (E_RNA) where: Base-Base interactions energy: -1918.203 where: short stacking energy: -776.397 Base-Backbone interact. energy: -4.702 local terms energy: -794.405414 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -147.697 flat angles C4'-P-C4' energy: -162.527 flat angles P-C4'-P energy: -118.279 tors. eta vs tors. theta energy: -230.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2686.249720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.249720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.249720 (E_RNA) where: Base-Base interactions energy: -1919.396 where: short stacking energy: -761.848 Base-Backbone interact. energy: -0.693 local terms energy: -766.160817 where: bonds (distance) C4'-P energy: -126.152 bonds (distance) P-C4' energy: -141.705 flat angles C4'-P-C4' energy: -154.642 flat angles P-C4'-P energy: -119.593 tors. eta vs tors. theta energy: -224.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2492.381627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.381627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.381627 (E_RNA) where: Base-Base interactions energy: -1777.406 where: short stacking energy: -768.485 Base-Backbone interact. energy: -0.184 local terms energy: -714.791412 where: bonds (distance) C4'-P energy: -103.969 bonds (distance) P-C4' energy: -129.744 flat angles C4'-P-C4' energy: -156.021 flat angles P-C4'-P energy: -100.485 tors. eta vs tors. theta energy: -224.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2480.146066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.146066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.146066 (E_RNA) where: Base-Base interactions energy: -1739.929 where: short stacking energy: -731.012 Base-Backbone interact. energy: 0.487 local terms energy: -740.703911 where: bonds (distance) C4'-P energy: -140.279 bonds (distance) P-C4' energy: -110.873 flat angles C4'-P-C4' energy: -151.576 flat angles P-C4'-P energy: -100.342 tors. eta vs tors. theta energy: -237.635 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: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2375.894955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.894955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.894955 (E_RNA) where: Base-Base interactions energy: -1685.559 where: short stacking energy: -667.335 Base-Backbone interact. energy: -1.559 local terms energy: -688.776362 where: bonds (distance) C4'-P energy: -117.230 bonds (distance) P-C4' energy: -121.971 flat angles C4'-P-C4' energy: -140.640 flat angles P-C4'-P energy: -94.934 tors. eta vs tors. theta energy: -214.001 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: 6, replica: 9 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2263.193916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.193916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.193916 (E_RNA) where: Base-Base interactions energy: -1599.945 where: short stacking energy: -653.550 Base-Backbone interact. energy: -0.793 local terms energy: -662.456272 where: bonds (distance) C4'-P energy: -129.236 bonds (distance) P-C4' energy: -108.404 flat angles C4'-P-C4' energy: -148.935 flat angles P-C4'-P energy: -94.938 tors. eta vs tors. theta energy: -180.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2217.081578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.081578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.081578 (E_RNA) where: Base-Base interactions energy: -1601.345 where: short stacking energy: -632.539 Base-Backbone interact. energy: 1.991 local terms energy: -617.727585 where: bonds (distance) C4'-P energy: -102.112 bonds (distance) P-C4' energy: -104.678 flat angles C4'-P-C4' energy: -146.499 flat angles P-C4'-P energy: -72.137 tors. eta vs tors. theta energy: -192.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -2146.296760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.296760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.296760 (E_RNA) where: Base-Base interactions energy: -1479.073 where: short stacking energy: -628.143 Base-Backbone interact. energy: -0.819 local terms energy: -666.404463 where: bonds (distance) C4'-P energy: -123.339 bonds (distance) P-C4' energy: -119.168 flat angles C4'-P-C4' energy: -141.198 flat angles P-C4'-P energy: -95.016 tors. eta vs tors. theta energy: -187.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1753.739525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.739525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.739525 (E_RNA) where: Base-Base interactions energy: -1208.097 where: short stacking energy: -511.370 Base-Backbone interact. energy: -1.646 local terms energy: -543.996290 where: bonds (distance) C4'-P energy: -119.197 bonds (distance) P-C4' energy: -111.965 flat angles C4'-P-C4' energy: -111.275 flat angles P-C4'-P energy: -68.952 tors. eta vs tors. theta energy: -132.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -993.368401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.368401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.368401 (E_RNA) where: Base-Base interactions energy: -604.570 where: short stacking energy: -269.422 Base-Backbone interact. energy: -0.878 local terms energy: -387.920611 where: bonds (distance) C4'-P energy: -95.979 bonds (distance) P-C4' energy: -124.030 flat angles C4'-P-C4' energy: -98.614 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -24.730 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: 1, replica: 1 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2700.844774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.844774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.844774 (E_RNA) where: Base-Base interactions energy: -1890.540 where: short stacking energy: -759.934 Base-Backbone interact. energy: -4.679 local terms energy: -805.626612 where: bonds (distance) C4'-P energy: -131.420 bonds (distance) P-C4' energy: -152.151 flat angles C4'-P-C4' energy: -159.997 flat angles P-C4'-P energy: -120.647 tors. eta vs tors. theta energy: -241.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2636.239707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.239707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.239707 (E_RNA) where: Base-Base interactions energy: -1888.520 where: short stacking energy: -764.790 Base-Backbone interact. energy: -0.030 local terms energy: -747.689629 where: bonds (distance) C4'-P energy: -112.798 bonds (distance) P-C4' energy: -147.603 flat angles C4'-P-C4' energy: -144.411 flat angles P-C4'-P energy: -114.799 tors. eta vs tors. theta energy: -228.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2529.079229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.079229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.079229 (E_RNA) where: Base-Base interactions energy: -1806.943 where: short stacking energy: -769.450 Base-Backbone interact. energy: -2.063 local terms energy: -720.073053 where: bonds (distance) C4'-P energy: -108.839 bonds (distance) P-C4' energy: -127.411 flat angles C4'-P-C4' energy: -159.800 flat angles P-C4'-P energy: -92.975 tors. eta vs tors. theta energy: -231.048 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: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2503.127341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.127341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.127341 (E_RNA) where: Base-Base interactions energy: -1792.567 where: short stacking energy: -742.010 Base-Backbone interact. energy: 2.320 local terms energy: -712.881068 where: bonds (distance) C4'-P energy: -109.878 bonds (distance) P-C4' energy: -116.485 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -97.953 tors. eta vs tors. theta energy: -231.867 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: 2 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2394.133753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.133753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.133753 (E_RNA) where: Base-Base interactions energy: -1696.354 where: short stacking energy: -697.289 Base-Backbone interact. energy: -2.020 local terms energy: -695.760120 where: bonds (distance) C4'-P energy: -115.004 bonds (distance) P-C4' energy: -118.772 flat angles C4'-P-C4' energy: -144.326 flat angles P-C4'-P energy: -107.650 tors. eta vs tors. theta energy: -210.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2271.672066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.672066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.672066 (E_RNA) where: Base-Base interactions energy: -1613.118 where: short stacking energy: -660.212 Base-Backbone interact. energy: -2.288 local terms energy: -656.266007 where: bonds (distance) C4'-P energy: -103.608 bonds (distance) P-C4' energy: -111.666 flat angles C4'-P-C4' energy: -149.043 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -197.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2186.477907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.477907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.477907 (E_RNA) where: Base-Base interactions energy: -1565.311 where: short stacking energy: -626.069 Base-Backbone interact. energy: -0.285 local terms energy: -620.882763 where: bonds (distance) C4'-P energy: -105.903 bonds (distance) P-C4' energy: -115.657 flat angles C4'-P-C4' energy: -129.874 flat angles P-C4'-P energy: -87.140 tors. eta vs tors. theta energy: -182.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -2170.806819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.806819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.806819 (E_RNA) where: Base-Base interactions energy: -1553.807 where: short stacking energy: -640.413 Base-Backbone interact. energy: -0.356 local terms energy: -616.643464 where: bonds (distance) C4'-P energy: -109.089 bonds (distance) P-C4' energy: -97.158 flat angles C4'-P-C4' energy: -142.069 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -191.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1713.768793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.768793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.768793 (E_RNA) where: Base-Base interactions energy: -1150.610 where: short stacking energy: -480.057 Base-Backbone interact. energy: -3.364 local terms energy: -559.794553 where: bonds (distance) C4'-P energy: -115.945 bonds (distance) P-C4' energy: -105.343 flat angles C4'-P-C4' energy: -118.912 flat angles P-C4'-P energy: -82.000 tors. eta vs tors. theta energy: -137.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -982.721430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.721430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.721430 (E_RNA) where: Base-Base interactions energy: -593.899 where: short stacking energy: -281.031 Base-Backbone interact. energy: -1.444 local terms energy: -387.379135 where: bonds (distance) C4'-P energy: -108.540 bonds (distance) P-C4' energy: -103.890 flat angles C4'-P-C4' energy: -90.939 flat angles P-C4'-P energy: -47.412 tors. eta vs tors. theta energy: -36.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2685.864577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.864577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.864577 (E_RNA) where: Base-Base interactions energy: -1906.236 where: short stacking energy: -778.711 Base-Backbone interact. energy: -4.830 local terms energy: -774.798919 where: bonds (distance) C4'-P energy: -128.588 bonds (distance) P-C4' energy: -130.115 flat angles C4'-P-C4' energy: -163.628 flat angles P-C4'-P energy: -110.773 tors. eta vs tors. theta energy: -241.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2642.364032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.364032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.364032 (E_RNA) where: Base-Base interactions energy: -1894.937 where: short stacking energy: -747.652 Base-Backbone interact. energy: -4.357 local terms energy: -743.070117 where: bonds (distance) C4'-P energy: -126.819 bonds (distance) P-C4' energy: -121.601 flat angles C4'-P-C4' energy: -161.519 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -226.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2534.962141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.962141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.962141 (E_RNA) where: Base-Base interactions energy: -1791.387 where: short stacking energy: -758.694 Base-Backbone interact. energy: -1.176 local terms energy: -742.399115 where: bonds (distance) C4'-P energy: -139.713 bonds (distance) P-C4' energy: -104.131 flat angles C4'-P-C4' energy: -156.178 flat angles P-C4'-P energy: -100.474 tors. eta vs tors. theta energy: -241.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2474.783908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.783908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.783908 (E_RNA) where: Base-Base interactions energy: -1758.686 where: short stacking energy: -722.752 Base-Backbone interact. energy: -0.244 local terms energy: -715.853674 where: bonds (distance) C4'-P energy: -132.366 bonds (distance) P-C4' energy: -118.046 flat angles C4'-P-C4' energy: -156.296 flat angles P-C4'-P energy: -98.487 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: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2402.451409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.451409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.451409 (E_RNA) where: Base-Base interactions energy: -1729.337 where: short stacking energy: -710.048 Base-Backbone interact. energy: -0.854 local terms energy: -672.260399 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -126.315 flat angles C4'-P-C4' energy: -145.511 flat angles P-C4'-P energy: -81.043 tors. eta vs tors. theta energy: -210.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2323.084244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.084244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.084244 (E_RNA) where: Base-Base interactions energy: -1641.146 where: short stacking energy: -665.030 Base-Backbone interact. energy: 1.452 local terms energy: -683.390188 where: bonds (distance) C4'-P energy: -119.482 bonds (distance) P-C4' energy: -124.328 flat angles C4'-P-C4' energy: -141.084 flat angles P-C4'-P energy: -94.048 tors. eta vs tors. theta energy: -204.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2224.551902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.551902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.551902 (E_RNA) where: Base-Base interactions energy: -1570.203 where: short stacking energy: -654.582 Base-Backbone interact. energy: -0.644 local terms energy: -653.704564 where: bonds (distance) C4'-P energy: -121.423 bonds (distance) P-C4' energy: -99.295 flat angles C4'-P-C4' energy: -137.552 flat angles P-C4'-P energy: -101.689 tors. eta vs tors. theta energy: -193.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -2090.099857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.099857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.099857 (E_RNA) where: Base-Base interactions energy: -1491.084 where: short stacking energy: -601.033 Base-Backbone interact. energy: -2.004 local terms energy: -597.012151 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -114.561 flat angles C4'-P-C4' energy: -118.682 flat angles P-C4'-P energy: -85.891 tors. eta vs tors. theta energy: -170.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1714.721775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.721775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.721775 (E_RNA) where: Base-Base interactions energy: -1197.601 where: short stacking energy: -508.328 Base-Backbone interact. energy: 0.489 local terms energy: -517.610182 where: bonds (distance) C4'-P energy: -93.018 bonds (distance) P-C4' energy: -80.387 flat angles C4'-P-C4' energy: -130.097 flat angles P-C4'-P energy: -80.693 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: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -959.528513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.528513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.528513 (E_RNA) where: Base-Base interactions energy: -595.208 where: short stacking energy: -277.720 Base-Backbone interact. energy: -0.346 local terms energy: -363.974363 where: bonds (distance) C4'-P energy: -93.452 bonds (distance) P-C4' energy: -98.425 flat angles C4'-P-C4' energy: -86.455 flat angles P-C4'-P energy: -63.103 tors. eta vs tors. theta energy: -22.539 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: 497 Temperature: 0.900000 Total energy: -2707.406958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.406958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.406958 (E_RNA) where: Base-Base interactions energy: -1910.617 where: short stacking energy: -798.634 Base-Backbone interact. energy: -1.434 local terms energy: -795.356465 where: bonds (distance) C4'-P energy: -136.900 bonds (distance) P-C4' energy: -138.947 flat angles C4'-P-C4' energy: -159.450 flat angles P-C4'-P energy: -118.932 tors. eta vs tors. theta energy: -241.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2641.503259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.503259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.503259 (E_RNA) where: Base-Base interactions energy: -1903.507 where: short stacking energy: -774.325 Base-Backbone interact. energy: -1.255 local terms energy: -736.741701 where: bonds (distance) C4'-P energy: -119.023 bonds (distance) P-C4' energy: -134.932 flat angles C4'-P-C4' energy: -153.079 flat angles P-C4'-P energy: -99.383 tors. eta vs tors. theta energy: -230.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2570.084999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.084999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.084999 (E_RNA) where: Base-Base interactions energy: -1826.357 where: short stacking energy: -752.498 Base-Backbone interact. energy: -0.458 local terms energy: -743.269349 where: bonds (distance) C4'-P energy: -113.549 bonds (distance) P-C4' energy: -126.762 flat angles C4'-P-C4' energy: -154.296 flat angles P-C4'-P energy: -108.193 tors. eta vs tors. theta energy: -240.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2477.442566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.442566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.442566 (E_RNA) where: Base-Base interactions energy: -1777.039 where: short stacking energy: -741.451 Base-Backbone interact. energy: -2.357 local terms energy: -698.046825 where: bonds (distance) C4'-P energy: -122.524 bonds (distance) P-C4' energy: -108.194 flat angles C4'-P-C4' energy: -151.346 flat angles P-C4'-P energy: -88.603 tors. eta vs tors. theta energy: -227.381 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: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2451.583614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.583614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.583614 (E_RNA) where: Base-Base interactions energy: -1727.367 where: short stacking energy: -713.739 Base-Backbone interact. energy: -0.213 local terms energy: -724.003996 where: bonds (distance) C4'-P energy: -112.829 bonds (distance) P-C4' energy: -134.746 flat angles C4'-P-C4' energy: -149.573 flat angles P-C4'-P energy: -106.089 tors. eta vs tors. theta energy: -220.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2317.452484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.452484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.452484 (E_RNA) where: Base-Base interactions energy: -1700.654 where: short stacking energy: -695.540 Base-Backbone interact. energy: -0.012 local terms energy: -616.785613 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -93.078 flat angles C4'-P-C4' energy: -131.447 flat angles P-C4'-P energy: -98.400 tors. eta vs tors. theta energy: -201.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2235.773044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.773044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.773044 (E_RNA) where: Base-Base interactions energy: -1557.654 where: short stacking energy: -645.646 Base-Backbone interact. energy: -1.681 local terms energy: -676.437774 where: bonds (distance) C4'-P energy: -112.572 bonds (distance) P-C4' energy: -123.732 flat angles C4'-P-C4' energy: -147.674 flat angles P-C4'-P energy: -94.655 tors. eta vs tors. theta energy: -197.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -2057.543539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.543539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.543539 (E_RNA) where: Base-Base interactions energy: -1470.002 where: short stacking energy: -590.135 Base-Backbone interact. energy: -2.014 local terms energy: -585.527113 where: bonds (distance) C4'-P energy: -112.009 bonds (distance) P-C4' energy: -103.474 flat angles C4'-P-C4' energy: -127.299 flat angles P-C4'-P energy: -82.756 tors. eta vs tors. theta energy: -159.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1685.037443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.037443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.037443 (E_RNA) where: Base-Base interactions energy: -1165.070 where: short stacking energy: -483.332 Base-Backbone interact. energy: -0.341 local terms energy: -519.625724 where: bonds (distance) C4'-P energy: -94.977 bonds (distance) P-C4' energy: -108.620 flat angles C4'-P-C4' energy: -116.051 flat angles P-C4'-P energy: -70.169 tors. eta vs tors. theta energy: -129.808 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: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -983.766705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.766705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.766705 (E_RNA) where: Base-Base interactions energy: -596.466 where: short stacking energy: -286.164 Base-Backbone interact. energy: -2.326 local terms energy: -384.975096 where: bonds (distance) C4'-P energy: -100.200 bonds (distance) P-C4' energy: -115.111 flat angles C4'-P-C4' energy: -89.100 flat angles P-C4'-P energy: -42.672 tors. eta vs tors. theta energy: -37.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2710.591554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.591554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.591554 (E_RNA) where: Base-Base interactions energy: -1920.148 where: short stacking energy: -784.691 Base-Backbone interact. energy: 2.371 local terms energy: -792.814863 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -131.066 flat angles C4'-P-C4' energy: -163.612 flat angles P-C4'-P energy: -116.827 tors. eta vs tors. theta energy: -243.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2645.500116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.500116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.500116 (E_RNA) where: Base-Base interactions energy: -1917.541 where: short stacking energy: -773.897 Base-Backbone interact. energy: -2.380 local terms energy: -725.578750 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -121.647 flat angles C4'-P-C4' energy: -138.543 flat angles P-C4'-P energy: -108.332 tors. eta vs tors. theta energy: -225.662 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: 3, replica: 7 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2518.246007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.246007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.246007 (E_RNA) where: Base-Base interactions energy: -1775.494 where: short stacking energy: -719.912 Base-Backbone interact. energy: 3.549 local terms energy: -746.300835 where: bonds (distance) C4'-P energy: -120.194 bonds (distance) P-C4' energy: -124.344 flat angles C4'-P-C4' energy: -155.464 flat angles P-C4'-P energy: -112.519 tors. eta vs tors. theta energy: -233.780 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: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2476.764443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.764443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.764443 (E_RNA) where: Base-Base interactions energy: -1763.616 where: short stacking energy: -730.091 Base-Backbone interact. energy: 1.939 local terms energy: -715.087348 where: bonds (distance) C4'-P energy: -109.810 bonds (distance) P-C4' energy: -122.564 flat angles C4'-P-C4' energy: -155.514 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -235.901 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: 2 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2432.320066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.320066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.320066 (E_RNA) where: Base-Base interactions energy: -1725.144 where: short stacking energy: -707.938 Base-Backbone interact. energy: -2.834 local terms energy: -704.342351 where: bonds (distance) C4'-P energy: -110.190 bonds (distance) P-C4' energy: -115.228 flat angles C4'-P-C4' energy: -148.825 flat angles P-C4'-P energy: -97.905 tors. eta vs tors. theta energy: -232.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2310.659890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.659890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.659890 (E_RNA) where: Base-Base interactions energy: -1635.401 where: short stacking energy: -670.071 Base-Backbone interact. energy: 0.648 local terms energy: -675.907368 where: bonds (distance) C4'-P energy: -120.598 bonds (distance) P-C4' energy: -123.098 flat angles C4'-P-C4' energy: -142.282 flat angles P-C4'-P energy: -80.628 tors. eta vs tors. theta energy: -209.301 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: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2160.773024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.773024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.773024 (E_RNA) where: Base-Base interactions energy: -1523.055 where: short stacking energy: -623.739 Base-Backbone interact. energy: 0.572 local terms energy: -638.289911 where: bonds (distance) C4'-P energy: -122.059 bonds (distance) P-C4' energy: -97.844 flat angles C4'-P-C4' energy: -142.179 flat angles P-C4'-P energy: -92.030 tors. eta vs tors. theta energy: -184.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -2046.192662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.192662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.192662 (E_RNA) where: Base-Base interactions energy: -1459.114 where: short stacking energy: -600.146 Base-Backbone interact. energy: 0.626 local terms energy: -587.704755 where: bonds (distance) C4'-P energy: -97.002 bonds (distance) P-C4' energy: -116.031 flat angles C4'-P-C4' energy: -122.299 flat angles P-C4'-P energy: -87.319 tors. eta vs tors. theta energy: -165.054 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: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1612.712404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.712404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.712404 (E_RNA) where: Base-Base interactions energy: -1104.929 where: short stacking energy: -460.489 Base-Backbone interact. energy: 5.167 local terms energy: -512.950791 where: bonds (distance) C4'-P energy: -117.921 bonds (distance) P-C4' energy: -104.693 flat angles C4'-P-C4' energy: -115.870 flat angles P-C4'-P energy: -60.361 tors. eta vs tors. theta energy: -114.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -970.784007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.784007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.784007 (E_RNA) where: Base-Base interactions energy: -598.282 where: short stacking energy: -287.764 Base-Backbone interact. energy: 1.207 local terms energy: -373.709290 where: bonds (distance) C4'-P energy: -102.710 bonds (distance) P-C4' energy: -113.340 flat angles C4'-P-C4' energy: -80.631 flat angles P-C4'-P energy: -54.994 tors. eta vs tors. theta energy: -22.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2718.070862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.070862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.070862 (E_RNA) where: Base-Base interactions energy: -1905.873 where: short stacking energy: -789.412 Base-Backbone interact. energy: -5.132 local terms energy: -807.065979 where: bonds (distance) C4'-P energy: -136.690 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -162.716 flat angles P-C4'-P energy: -111.204 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: 2, replica: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2639.695335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.695335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.695335 (E_RNA) where: Base-Base interactions energy: -1899.578 where: short stacking energy: -752.771 Base-Backbone interact. energy: -3.886 local terms energy: -736.231433 where: bonds (distance) C4'-P energy: -129.501 bonds (distance) P-C4' energy: -128.264 flat angles C4'-P-C4' energy: -152.152 flat angles P-C4'-P energy: -107.425 tors. eta vs tors. theta energy: -218.890 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: 7 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2526.677004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.677004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.677004 (E_RNA) where: Base-Base interactions energy: -1795.946 where: short stacking energy: -746.973 Base-Backbone interact. energy: -0.411 local terms energy: -730.320113 where: bonds (distance) C4'-P energy: -117.974 bonds (distance) P-C4' energy: -122.947 flat angles C4'-P-C4' energy: -156.680 flat angles P-C4'-P energy: -93.231 tors. eta vs tors. theta energy: -239.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2475.878564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.878564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.878564 (E_RNA) where: Base-Base interactions energy: -1753.101 where: short stacking energy: -721.214 Base-Backbone interact. energy: -0.473 local terms energy: -722.304058 where: bonds (distance) C4'-P energy: -124.842 bonds (distance) P-C4' energy: -126.264 flat angles C4'-P-C4' energy: -148.067 flat angles P-C4'-P energy: -93.654 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: 5, replica: 2 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2421.983284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.983284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.983284 (E_RNA) where: Base-Base interactions energy: -1709.709 where: short stacking energy: -724.481 Base-Backbone interact. energy: -0.108 local terms energy: -712.166355 where: bonds (distance) C4'-P energy: -127.421 bonds (distance) P-C4' energy: -112.922 flat angles C4'-P-C4' energy: -150.777 flat angles P-C4'-P energy: -91.871 tors. eta vs tors. theta energy: -229.175 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: 6, replica: 9 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2326.072790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.072790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.072790 (E_RNA) where: Base-Base interactions energy: -1656.307 where: short stacking energy: -657.731 Base-Backbone interact. energy: -3.224 local terms energy: -666.542607 where: bonds (distance) C4'-P energy: -103.133 bonds (distance) P-C4' energy: -121.016 flat angles C4'-P-C4' energy: -142.964 flat angles P-C4'-P energy: -97.070 tors. eta vs tors. theta energy: -202.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2187.071467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.071467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.071467 (E_RNA) where: Base-Base interactions energy: -1536.816 where: short stacking energy: -643.037 Base-Backbone interact. energy: -3.042 local terms energy: -647.213166 where: bonds (distance) C4'-P energy: -111.558 bonds (distance) P-C4' energy: -107.458 flat angles C4'-P-C4' energy: -132.902 flat angles P-C4'-P energy: -104.535 tors. eta vs tors. theta energy: -190.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -2084.914530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.914530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.914530 (E_RNA) where: Base-Base interactions energy: -1462.251 where: short stacking energy: -590.682 Base-Backbone interact. energy: -3.238 local terms energy: -619.426055 where: bonds (distance) C4'-P energy: -118.311 bonds (distance) P-C4' energy: -115.310 flat angles C4'-P-C4' energy: -132.608 flat angles P-C4'-P energy: -69.270 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: 9, replica: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1634.582322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.582322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.582322 (E_RNA) where: Base-Base interactions energy: -1120.385 where: short stacking energy: -463.346 Base-Backbone interact. energy: 1.378 local terms energy: -515.575718 where: bonds (distance) C4'-P energy: -91.751 bonds (distance) P-C4' energy: -110.906 flat angles C4'-P-C4' energy: -134.040 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -107.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -946.440451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.440451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.440451 (E_RNA) where: Base-Base interactions energy: -532.174 where: short stacking energy: -249.740 Base-Backbone interact. energy: 2.775 local terms energy: -417.042223 where: bonds (distance) C4'-P energy: -113.523 bonds (distance) P-C4' energy: -111.035 flat angles C4'-P-C4' energy: -90.384 flat angles P-C4'-P energy: -64.002 tors. eta vs tors. theta energy: -38.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2663.799238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.799238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.799238 (E_RNA) where: Base-Base interactions energy: -1909.098 where: short stacking energy: -765.227 Base-Backbone interact. energy: -3.803 local terms energy: -750.897597 where: bonds (distance) C4'-P energy: -141.673 bonds (distance) P-C4' energy: -137.342 flat angles C4'-P-C4' energy: -149.584 flat angles P-C4'-P energy: -103.398 tors. eta vs tors. theta energy: -218.900 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: 1 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2665.751781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.751781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.751781 (E_RNA) where: Base-Base interactions energy: -1881.311 where: short stacking energy: -769.837 Base-Backbone interact. energy: -2.059 local terms energy: -782.381796 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -143.823 flat angles C4'-P-C4' energy: -161.580 flat angles P-C4'-P energy: -106.858 tors. eta vs tors. theta energy: -238.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2519.620536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.620536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.620536 (E_RNA) where: Base-Base interactions energy: -1768.876 where: short stacking energy: -723.965 Base-Backbone interact. energy: 0.691 local terms energy: -751.436279 where: bonds (distance) C4'-P energy: -127.865 bonds (distance) P-C4' energy: -131.845 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -104.991 tors. eta vs tors. theta energy: -236.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2487.656217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.656217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.656217 (E_RNA) where: Base-Base interactions energy: -1759.401 where: short stacking energy: -725.242 Base-Backbone interact. energy: -0.868 local terms energy: -727.386450 where: bonds (distance) C4'-P energy: -113.852 bonds (distance) P-C4' energy: -128.571 flat angles C4'-P-C4' energy: -144.795 flat angles P-C4'-P energy: -112.599 tors. eta vs tors. theta energy: -227.570 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: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2428.152735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.152735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.152735 (E_RNA) where: Base-Base interactions energy: -1734.079 where: short stacking energy: -706.807 Base-Backbone interact. energy: -2.225 local terms energy: -691.848737 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -111.306 flat angles C4'-P-C4' energy: -133.013 flat angles P-C4'-P energy: -109.571 tors. eta vs tors. theta energy: -226.379 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: 500 Temperature: 1.150000 Total energy: -2340.055904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.055904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.055904 (E_RNA) where: Base-Base interactions energy: -1701.508 where: short stacking energy: -683.512 Base-Backbone interact. energy: -1.385 local terms energy: -637.163356 where: bonds (distance) C4'-P energy: -106.391 bonds (distance) P-C4' energy: -114.577 flat angles C4'-P-C4' energy: -123.934 flat angles P-C4'-P energy: -92.237 tors. eta vs tors. theta energy: -200.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -2188.657346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.657346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.657346 (E_RNA) where: Base-Base interactions energy: -1548.205 where: short stacking energy: -631.874 Base-Backbone interact. energy: 1.468 local terms energy: -641.920623 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -121.602 flat angles C4'-P-C4' energy: -130.848 flat angles P-C4'-P energy: -96.905 tors. eta vs tors. theta energy: -173.245 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: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -2107.718688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.718688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.718688 (E_RNA) where: Base-Base interactions energy: -1482.525 where: short stacking energy: -593.095 Base-Backbone interact. energy: -2.019 local terms energy: -623.173903 where: bonds (distance) C4'-P energy: -125.229 bonds (distance) P-C4' energy: -120.241 flat angles C4'-P-C4' energy: -136.086 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -171.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1745.051405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.051405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.051405 (E_RNA) where: Base-Base interactions energy: -1219.009 where: short stacking energy: -520.702 Base-Backbone interact. energy: -0.411 local terms energy: -525.630914 where: bonds (distance) C4'-P energy: -104.093 bonds (distance) P-C4' energy: -107.633 flat angles C4'-P-C4' energy: -116.461 flat angles P-C4'-P energy: -73.099 tors. eta vs tors. theta energy: -124.346 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: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -929.916161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.916161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.916161 (E_RNA) where: Base-Base interactions energy: -530.129 where: short stacking energy: -267.728 Base-Backbone interact. energy: -1.113 local terms energy: -398.674240 where: bonds (distance) C4'-P energy: -92.876 bonds (distance) P-C4' energy: -117.558 flat angles C4'-P-C4' energy: -86.530 flat angles P-C4'-P energy: -63.111 tors. eta vs tors. theta energy: -38.600 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: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2688.519133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.519133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.519133 (E_RNA) where: Base-Base interactions energy: -1936.657 where: short stacking energy: -761.625 Base-Backbone interact. energy: -1.190 local terms energy: -750.671605 where: bonds (distance) C4'-P energy: -138.940 bonds (distance) P-C4' energy: -127.784 flat angles C4'-P-C4' energy: -150.324 flat angles P-C4'-P energy: -115.594 tors. eta vs tors. theta energy: -218.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2662.388090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.388090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.388090 (E_RNA) where: Base-Base interactions energy: -1887.070 where: short stacking energy: -778.697 Base-Backbone interact. energy: -0.472 local terms energy: -774.846369 where: bonds (distance) C4'-P energy: -120.117 bonds (distance) P-C4' energy: -139.690 flat angles C4'-P-C4' energy: -161.559 flat angles P-C4'-P energy: -111.396 tors. eta vs tors. theta energy: -242.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2521.775918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.775918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.775918 (E_RNA) where: Base-Base interactions energy: -1804.317 where: short stacking energy: -737.824 Base-Backbone interact. energy: 3.695 local terms energy: -721.153856 where: bonds (distance) C4'-P energy: -120.943 bonds (distance) P-C4' energy: -121.654 flat angles C4'-P-C4' energy: -145.759 flat angles P-C4'-P energy: -107.315 tors. eta vs tors. theta energy: -225.482 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: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2472.283378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.283378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.283378 (E_RNA) where: Base-Base interactions energy: -1749.163 where: short stacking energy: -725.801 Base-Backbone interact. energy: -1.554 local terms energy: -721.566177 where: bonds (distance) C4'-P energy: -123.904 bonds (distance) P-C4' energy: -122.222 flat angles C4'-P-C4' energy: -144.206 flat angles P-C4'-P energy: -100.764 tors. eta vs tors. theta energy: -230.470 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: 2 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2412.772690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.772690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.772690 (E_RNA) where: Base-Base interactions energy: -1744.517 where: short stacking energy: -711.769 Base-Backbone interact. energy: 2.025 local terms energy: -670.280210 where: bonds (distance) C4'-P energy: -114.853 bonds (distance) P-C4' energy: -97.903 flat angles C4'-P-C4' energy: -140.349 flat angles P-C4'-P energy: -98.893 tors. eta vs tors. theta energy: -218.283 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: 9 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2297.790596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.790596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.790596 (E_RNA) where: Base-Base interactions energy: -1630.017 where: short stacking energy: -657.003 Base-Backbone interact. energy: -2.076 local terms energy: -665.698494 where: bonds (distance) C4'-P energy: -128.340 bonds (distance) P-C4' energy: -110.449 flat angles C4'-P-C4' energy: -146.184 flat angles P-C4'-P energy: -89.305 tors. eta vs tors. theta energy: -191.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2193.790621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.790621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.790621 (E_RNA) where: Base-Base interactions energy: -1535.090 where: short stacking energy: -626.385 Base-Backbone interact. energy: 1.100 local terms energy: -659.800584 where: bonds (distance) C4'-P energy: -109.024 bonds (distance) P-C4' energy: -128.200 flat angles C4'-P-C4' energy: -141.040 flat angles P-C4'-P energy: -93.574 tors. eta vs tors. theta energy: -187.963 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: 501 Temperature: 1.250000 Total energy: -2117.430976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.430976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.430976 (E_RNA) where: Base-Base interactions energy: -1512.005 where: short stacking energy: -602.419 Base-Backbone interact. energy: 2.093 local terms energy: -607.518404 where: bonds (distance) C4'-P energy: -111.252 bonds (distance) P-C4' energy: -88.354 flat angles C4'-P-C4' energy: -139.908 flat angles P-C4'-P energy: -89.014 tors. eta vs tors. theta energy: -178.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1672.125417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.125417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.125417 (E_RNA) where: Base-Base interactions energy: -1156.924 where: short stacking energy: -487.232 Base-Backbone interact. energy: -0.101 local terms energy: -515.100871 where: bonds (distance) C4'-P energy: -105.267 bonds (distance) P-C4' energy: -88.523 flat angles C4'-P-C4' energy: -111.116 flat angles P-C4'-P energy: -84.206 tors. eta vs tors. theta energy: -125.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -941.584298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.584298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.584298 (E_RNA) where: Base-Base interactions energy: -543.174 where: short stacking energy: -272.553 Base-Backbone interact. energy: 0.471 local terms energy: -398.881375 where: bonds (distance) C4'-P energy: -99.561 bonds (distance) P-C4' energy: -108.410 flat angles C4'-P-C4' energy: -111.028 flat angles P-C4'-P energy: -51.505 tors. eta vs tors. theta energy: -28.377 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) replica 8 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 129970152 moves confirmed later: 147838562 all moves confirmed: 277808714 percent of confirmed moves: 34.726089 current total energy: -2624.835041 recalc. total energy: -2624.835041 replica 1 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 112072699 moves confirmed later: 124704814 all moves confirmed: 236777513 percent of confirmed moves: 29.597189 current total energy: -2500.097316 recalc. total energy: -2500.097316 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 87940190 moves confirmed later: 93627798 all moves confirmed: 181567988 percent of confirmed moves: 22.695999 current total energy: -2462.556115 recalc. total energy: -2462.556115 replica 6 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 92217855 moves confirmed later: 98940613 all moves confirmed: 191158468 percent of confirmed moves: 23.894808 current total energy: -2347.962357 recalc. total energy: -2347.962357 replica 2 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 113011903 moves confirmed later: 125697828 all moves confirmed: 238709731 percent of confirmed moves: 29.838716 current total energy: -2298.709230 recalc. total energy: -2298.709230 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 106556021 moves confirmed later: 117907806 all moves confirmed: 224463827 percent of confirmed moves: 28.057978 current total energy: -2082.875617 recalc. total energy: -2082.875617 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 93070618 moves confirmed later: 100282737 all moves confirmed: 193353355 percent of confirmed moves: 24.169169 current total energy: -2074.651245 recalc. total energy: -2074.651245 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 125649122 moves confirmed later: 142000699 all moves confirmed: 267649821 percent of confirmed moves: 33.456228 current total energy: -1945.731844 recalc. total energy: -1945.731844 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 109458906 moves confirmed later: 121199106 all moves confirmed: 230658012 percent of confirmed moves: 28.832252 current total energy: -1440.635159 recalc. total energy: -1440.635159 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 202657331 moves confirmed later: 240784748 all moves confirmed: 443442079 percent of confirmed moves: 55.430260 current total energy: -862.487362 recalc. total energy: -862.487362 out arg RESULTS//1/seq3_new-ac324842_01 Time of doing 8000000 iterations: 42284.011 seconds